trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol

C17H32O2 — CID 156570676

IUPACtrans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CC[C@H](O)C(OC[C@@H]2CCCC[C@@H]2C)C1
InChIInChI=1S/C17H32O2/c1-12(2)14-8-9-16(18)17(10-14)19-11-15-7-5-4-6-13(15)3/h12-18H,4-11H2,1-3H3/t13-,14-,15-,16-,17?/m0/s1
InChIKeyJFIRBDJSJKLHGP-KONYVYHMSA-N
MW268.44 g/mol
LogP4.01
Rot. Bonds4

About trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol

trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 156570676) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol
PubChem CID156570676
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Nametrans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CC[C@H](O)C(OC[C@@H]2CCCC[C@@H]2C)C1
InChIInChI=1S/C17H32O2/c1-12(2)14-8-9-16(18)17(10-14)19-11-15-7-5-4-6-13(15)3/h12-18H,4-11H2,1-3H3/t13-,14-,15-,16-,17?/m0/s1
InChIKeyJFIRBDJSJKLHGP-KONYVYHMSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

2-(3-methylbutoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62708284
4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
CID 62708658
2-(2-cyclobutylethoxy)-4-propan-2-ylcyclohexan-1-ol
CID 114157781
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448430
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561813
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847
2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422608
2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63473085
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol (CID 156570676) is trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol is CC(C)[C@H]1CC[C@H](O)C(OC[C@@H]2CCCC[C@@H]2C)C1.
What is the InChIKey of trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JFIRBDJSJKLHGP-KONYVYHMSA-N. The full InChI is InChI=1S/C17H32O2/c1-12(2)14-8-9-16(18)17(10-14)19-11-15-7-5-4-6-13(15)3/h12-18H,4-11H2,1-3H3/t13-,14-,15-,16-,17?/m0/s1.
What are the key properties of trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol?
trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-2-[[(1R,2S)-2-methylcyclohexyl]methoxy]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 156570676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).