(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol

C15H26O — CID 10013822

IUPAC(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol
SMILESC=C(C)[C@@]1(O)CC(C)(C)C[C@H]2[C@H](C)CC[C@H]21
InChIInChI=1S/C15H26O/c1-10(2)15(16)9-14(4,5)8-12-11(3)6-7-13(12)15/h11-13,16H,1,6-9H2,2-5H3/t11-,12+,13-,15+/m1/s1
InChIKeyHNOORAHYBOMBSX-COMQUAJESA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol

(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol (PubChem CID 10013822) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol
PubChem CID10013822
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol
SMILESC=C(C)[C@@]1(O)CC(C)(C)C[C@H]2[C@H](C)CC[C@H]21
InChIInChI=1S/C15H26O/c1-10(2)15(16)9-14(4,5)8-12-11(3)6-7-13(12)15/h11-13,16H,1,6-9H2,2-5H3/t11-,12+,13-,15+/m1/s1
InChIKeyHNOORAHYBOMBSX-COMQUAJESA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol?
The IUPAC name of (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol (CID 10013822) is (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol.
What is the SMILES notation for (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol?
The canonical SMILES for (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol is C=C(C)[C@@]1(O)CC(C)(C)C[C@H]2[C@H](C)CC[C@H]21.
What is the InChIKey of (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol?
The InChIKey is HNOORAHYBOMBSX-COMQUAJESA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)15(16)9-14(4,5)8-12-11(3)6-7-13(12)15/h11-13,16H,1,6-9H2,2-5H3/t11-,12+,13-,15+/m1/s1.
What are the key properties of (1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol?
(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 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)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol is sourced from PubChem (CID 10013822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).