trans-(1S,2S)-2-methoxycyclohexan-1-ol

C7H14O2 — CID 10197706

IUPACtrans-(1S,2S)-2-methoxycyclohexan-1-ol
SMILESCO[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyDCQQZLGQRIVCNH-BQBZGAKWSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds1

About trans-(1S,2S)-2-methoxycyclohexan-1-ol

trans-(1S,2S)-2-methoxycyclohexan-1-ol (PubChem CID 10197706) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxycyclohexan-1-ol
PubChem CID10197706
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nametrans-(1S,2S)-2-methoxycyclohexan-1-ol
SMILESCO[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyDCQQZLGQRIVCNH-BQBZGAKWSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-methoxycyclohexan-1-ol (CID 10197706) is trans-(1S,2S)-2-methoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-methoxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-methoxycyclohexan-1-ol is CO[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-methoxycyclohexan-1-ol?
The InChIKey is DCQQZLGQRIVCNH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxycyclohexan-1-ol?
trans-(1S,2S)-2-methoxycyclohexan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 10197706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).