(1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol

C15H24O3 — CID 22214782

IUPAC(1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol
SMILESC[C@]12CC[C@H](O)C=C1CC[C@@H]2OC1CCCCO1
InChIInChI=1S/C15H24O3/c1-15-8-7-12(16)10-11(15)5-6-13(15)18-14-4-2-3-9-17-14/h10,12-14,16H,2-9H2,1H3/t12-,13-,14?,15-/m0/s1
InChIKeyZRHPAEQIPBDNFD-NZATWWQASA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds2

About (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol

(1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol (PubChem CID 22214782) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol.

Molecular Properties

Compound Name(1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol
PubChem CID22214782
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol
SMILESC[C@]12CC[C@H](O)C=C1CC[C@@H]2OC1CCCCO1
InChIInChI=1S/C15H24O3/c1-15-8-7-12(16)10-11(15)5-6-13(15)18-14-4-2-3-9-17-14/h10,12-14,16H,2-9H2,1H3/t12-,13-,14?,15-/m0/s1
InChIKeyZRHPAEQIPBDNFD-NZATWWQASA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-ol
CID 134880423
7a-Methyl-1-(tetrahydro-2H-pyran-2-yloxy)-2,3,5,6,7,7a-hexahydro-1H-inden-5-ol
CID 559239
(4S)-3,3-dimethyl-4-tetrahydropyranyloxy-1-hydroxymethylcyclohexene
CID 13924113
1-[2-(Oxan-2-yloxy)-1-[7-(oxan-2-yloxy)hept-2-enyl]cyclopentyl]oct-1-en-3-ol
CID 53924253
1-[2-(Oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol
CID 54271737
2-Methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol
CID 10082422
(1S,5S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,5,6,7-hexahydroinden-5-ol
CID 13414571
(3S,3aS)-3-(methoxymethoxy)-3,3a-dimethyl-2,4,5,6-tetrahydro-1H-indene-5,6-diol
CID 23726162
(1S)-3-methyl-1-[4-[(2R)-oxan-2-yl]oxybutyl]cyclopent-2-en-1-ol
CID 94037610
(1R)-3-methyl-1-[4-[(2R)-oxan-2-yl]oxybutyl]cyclopent-2-en-1-ol
CID 94037611
(1S)-3-methyl-1-[4-[(2S)-oxan-2-yl]oxybutyl]cyclopent-2-en-1-ol
CID 94037612
(1R)-3-methyl-1-[4-[(2S)-oxan-2-yl]oxybutyl]cyclopent-2-en-1-ol
CID 94037613

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol?
The IUPAC name of (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol (CID 22214782) is (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol.
What is the SMILES notation for (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol?
The canonical SMILES for (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol is C[C@]12CC[C@H](O)C=C1CC[C@@H]2OC1CCCCO1.
What is the InChIKey of (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol?
The InChIKey is ZRHPAEQIPBDNFD-NZATWWQASA-N. The full InChI is InChI=1S/C15H24O3/c1-15-8-7-12(16)10-11(15)5-6-13(15)18-14-4-2-3-9-17-14/h10,12-14,16H,2-9H2,1H3/t12-,13-,14?,15-/m0/s1.
What are the key properties of (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol?
(1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol has a molecular weight of 252.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7aS)-7a-methyl-1-(oxan-2-yloxy)-1,2,3,5,6,7-hexahydroinden-5-ol is sourced from PubChem (CID 22214782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).