(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol

C15H24O — CID 101326883

IUPAC(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
SMILESC=C1CC[C@@H](O)[C@]2(C)CC[C@H](C=C(C)C)[C@@H]12
InChIInChI=1S/C15H24O/c1-10(2)9-12-7-8-15(4)13(16)6-5-11(3)14(12)15/h9,12-14,16H,3,5-8H2,1-2,4H3/t12-,13-,14-,15+/m1/s1
InChIKeyCZFKRGCIADMIRY-TUVASFSCSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol

(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol (PubChem CID 101326883) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
PubChem CID101326883
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
SMILESC=C1CC[C@@H](O)[C@]2(C)CC[C@H](C=C(C)C)[C@@H]12
InChIInChI=1S/C15H24O/c1-10(2)9-12-7-8-15(4)13(16)6-5-11(3)14(12)15/h9,12-14,16H,3,5-8H2,1-2,4H3/t12-,13-,14-,15+/m1/s1
InChIKeyCZFKRGCIADMIRY-TUVASFSCSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol?
The IUPAC name of (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol (CID 101326883) is (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol.
What is the SMILES notation for (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol?
The canonical SMILES for (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol is C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C=C(C)C)[C@@H]12.
What is the InChIKey of (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol?
The InChIKey is CZFKRGCIADMIRY-TUVASFSCSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)9-12-7-8-15(4)13(16)6-5-11(3)14(12)15/h9,12-14,16H,3,5-8H2,1-2,4H3/t12-,13-,14-,15+/m1/s1.
What are the key properties of (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol?
(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol is sourced from PubChem (CID 101326883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).