ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)

C72H124O8 — CID 173165066

About ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)

ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) (PubChem CID 173165066) has the molecular formula C72H124O8 and a molecular weight of 1117.78 g/mol. Its IUPAC name is ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol).

Molecular Properties

• Compound Name: ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)
• PubChem CID: 173165066
• Molecular Formula: C72H124O8
• Molecular Weight: 1117.78 g/mol
• Exact Mass: 1116.93
• IUPAC Name: ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)
• SMILES: C=C(C)C1CCC(C)C(O)C1.C=C(C)C1CCC(C)C(O)C1.CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2.CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2.CC(C)c1ccc(CO)cc1.CC1(C)C(O)[C@@]2(C)CC[C@@H]1C2.CC1(C)C(O)[C@@]2(C)CC[C@@H]1C2.CCO
• InChI: InChI=1S/2C10H16O.4C10H18O.C10H14O.C2H6O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10;2*1-9(2)7-4-5-10(3,6-7)8(9)11;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-5-3-9(7-11)4-6-10;1-2-3/h2*6-8H,4-5H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;2*8-11H,1,4-6H2,2-3H3;3-6,8,11H,7H2,1-2H3;3H,2H2,1H3/t7-,8+,10-;7-,8-,10+;2*7-,8?,10+;;;;/m0111..../s1
• InChIKey: XFPUVMOQGCTMKS-FVNACSFMSA-N
• XLogP: 15.92
• TPSA: 155.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.78
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)?

The IUPAC name of ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) (CID 173165066) is ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol).

What is the SMILES notation for ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)?

The canonical SMILES for ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) is C=C(C)C1CCC(C)C(O)C1.C=C(C)C1CCC(C)C(O)C1.CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2.CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2.CC(C)c1ccc(CO)cc1.CC1(C)C(O)[C@@]2(C)CC[C@@H]1C2.CC1(C)C(O)[C@@]2(C)CC[C@@H]1C2.CCO.

What is the InChIKey of ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)?

The InChIKey is XFPUVMOQGCTMKS-FVNACSFMSA-N. The full InChI is InChI=1S/2C10H16O.4C10H18O.C10H14O.C2H6O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10;2*1-9(2)7-4-5-10(3,6-7)8(9)11;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-5-3-9(7-11)4-6-10;1-2-3/h2*6-8H,4-5H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;2*8-11H,1,4-6H2,2-3H3;3-6,8,11H,7H2,1-2H3;3H,2H2,1H3/t7-,8+,10-;7-,8-,10+;2*7-,8?,10+;;;;/m0111..../s1.

What are the key properties of ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)?

ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) has a molecular weight of 1117.78 g/mol, XLogP of 15.92, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) is sourced from PubChem (CID 173165066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).