2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol

C15H28O3 — CID 142650533

IUPAC2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol
SMILESCOCOC1CCCC2(C)C1CCC2C(C)(C)O
InChIInChI=1S/C15H28O3/c1-14(2,16)13-8-7-11-12(18-10-17-4)6-5-9-15(11,13)3/h11-13,16H,5-10H2,1-4H3
InChIKeyIPMPEWOFUPIFKF-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol

2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol (PubChem CID 142650533) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol
PubChem CID142650533
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol
SMILESCOCOC1CCCC2(C)C1CCC2C(C)(C)O
InChIInChI=1S/C15H28O3/c1-14(2,16)13-8-7-11-12(18-10-17-4)6-5-9-15(11,13)3/h11-13,16H,5-10H2,1-4H3
InChIKeyIPMPEWOFUPIFKF-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol with MolForge

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Related Compounds

[7-ethyl-2-(4-methoxycarbonyloxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-7-(methoxymethoxy)non-3-en-2-yl] methyl carbonate
CID 57091692
7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 69133827
6-[2-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylpropoxy]-3-ethylhexan-3-ol
CID 21462545
6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol
CID 68587917
6-[(7aR)-4-methoxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-hydroxy-2-methylheptan-3-one
CID 70935598
(3R)-3-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-7-hydroxy-3,7-dimethyloctanal
CID 86629404
6-[(7aR)-4-methoxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one
CID 70935603
2-[(1R,3aR,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 58906178
cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
CID 101243669
[2-(methoxymethoxy)cyclohexyl]methanamine
CID 106938418
6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane
CID 159558614
1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol
CID 67998305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol?
The IUPAC name of 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol (CID 142650533) is 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol?
The canonical SMILES for 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol is COCOC1CCCC2(C)C1CCC2C(C)(C)O.
What is the InChIKey of 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol?
The InChIKey is IPMPEWOFUPIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-14(2,16)13-8-7-11-12(18-10-17-4)6-5-9-15(11,13)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol?
2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol is sourced from PubChem (CID 142650533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).