trans-(1R,2R)-2-propoxycyclohexan-1-ol

C9H18O2 — CID 11789481

IUPACtrans-(1R,2R)-2-propoxycyclohexan-1-ol
SMILESCCCO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18O2/c1-2-7-11-9-6-4-3-5-8(9)10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyHYONOAUBEBMUEL-RKDXNWHRSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds3

About trans-(1R,2R)-2-propoxycyclohexan-1-ol

trans-(1R,2R)-2-propoxycyclohexan-1-ol (PubChem CID 11789481) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-propoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-propoxycyclohexan-1-ol
PubChem CID11789481
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nametrans-(1R,2R)-2-propoxycyclohexan-1-ol
SMILESCCCO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18O2/c1-2-7-11-9-6-4-3-5-8(9)10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyHYONOAUBEBMUEL-RKDXNWHRSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-propoxycyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-propoxycyclohexan-1-ol (CID 11789481) is trans-(1R,2R)-2-propoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-propoxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-propoxycyclohexan-1-ol is CCCO[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-propoxycyclohexan-1-ol?
The InChIKey is HYONOAUBEBMUEL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-7-11-9-6-4-3-5-8(9)10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-propoxycyclohexan-1-ol?
trans-(1R,2R)-2-propoxycyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-propoxycyclohexan-1-ol is sourced from PubChem (CID 11789481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).