3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C30H56O3 — CID 67878390

IUPAC3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC(C)(O)CCC=C(C)C.CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2.CC1CCC(C(C)C)C(O)C1
InChIInChI=1S/C10H18O.C10H20O.C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-7(2)9-5-4-8(3)6-10(9)11;1-5-10(4,11)8-6-7-9(2)3/h7-8,11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;5,7,11H,1,6,8H2,2-4H3/t7-,8+,10+;;/m1../s1
InChIKeyCTGDETBNVJCICJ-PIOJDUODSA-N
MW464.78 g/mol
LogP7.30
Rot. Bonds5

About 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 67878390) has the molecular formula C30H56O3 and a molecular weight of 464.78 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID67878390
Molecular FormulaC30H56O3
Molecular Weight464.78 g/mol
Exact Mass464.42
IUPAC Name3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC(C)(O)CCC=C(C)C.CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2.CC1CCC(C(C)C)C(O)C1
InChIInChI=1S/C10H18O.C10H20O.C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-7(2)9-5-4-8(3)6-10(9)11;1-5-10(4,11)8-6-7-9(2)3/h7-8,11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;5,7,11H,1,6,8H2,2-4H3/t7-,8+,10+;;/m1../s1
InChIKeyCTGDETBNVJCICJ-PIOJDUODSA-N
XLogP7.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 57.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135367664
3,7-dimethylocta-1,6-dien-3-yl acetate;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22134021
3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 158725943
(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 67878390) is 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=CC(C)(O)CCC=C(C)C.CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2.CC1CCC(C(C)C)C(O)C1.
What is the InChIKey of 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is CTGDETBNVJCICJ-PIOJDUODSA-N. The full InChI is InChI=1S/C10H18O.C10H20O.C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-7(2)9-5-4-8(3)6-10(9)11;1-5-10(4,11)8-6-7-9(2)3/h7-8,11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;5,7,11H,1,6,8H2,2-4H3/t7-,8+,10+;;/m1../s1.
What are the key properties of 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 464.78 g/mol, XLogP of 7.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 67878390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).