cis-(1R,3R)-1-propylcyclohexane-1,3-diol

C9H18O2 — CID 172696211

IUPACcis-(1R,3R)-1-propylcyclohexane-1,3-diol
SMILESCCC[C@@]1(O)CCC[C@@H](O)C1
InChIInChI=1S/C9H18O2/c1-2-5-9(11)6-3-4-8(10)7-9/h8,10-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyCIVHNXWKZHEXRZ-RKDXNWHRSA-N
MW158.24 g/mol
LogP1.45
Rot. Bonds2

About cis-(1R,3R)-1-propylcyclohexane-1,3-diol

cis-(1R,3R)-1-propylcyclohexane-1,3-diol (PubChem CID 172696211) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is cis-(1R,3R)-1-propylcyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1R,3R)-1-propylcyclohexane-1,3-diol
PubChem CID172696211
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namecis-(1R,3R)-1-propylcyclohexane-1,3-diol
SMILESCCC[C@@]1(O)CCC[C@@H](O)C1
InChIInChI=1S/C9H18O2/c1-2-5-9(11)6-3-4-8(10)7-9/h8,10-11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyCIVHNXWKZHEXRZ-RKDXNWHRSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-1-prop-2-ynylcyclohexane-1,3-diol
CID 13197750
1-(hydroxymethyl)cyclooctane-1,5-diol
CID 11816153
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
3-tert-butyl-3-ethylcyclohexan-1-ol
CID 89045709
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
1-fluorocyclohexane-1,3-diol
CID 175445441
2-(3-hydroxy-3-pentylcyclohexyl)acetic acid
CID 70610596
1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 172797818
trans-(1S,3R)-1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 155226353
5,5-dimethylcyclononan-1-ol
CID 130122952
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-propylcyclohexane-1,3-diol?
The IUPAC name of cis-(1R,3R)-1-propylcyclohexane-1,3-diol (CID 172696211) is cis-(1R,3R)-1-propylcyclohexane-1,3-diol.
What is the SMILES notation for cis-(1R,3R)-1-propylcyclohexane-1,3-diol?
The canonical SMILES for cis-(1R,3R)-1-propylcyclohexane-1,3-diol is CCC[C@@]1(O)CCC[C@@H](O)C1.
What is the InChIKey of cis-(1R,3R)-1-propylcyclohexane-1,3-diol?
The InChIKey is CIVHNXWKZHEXRZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-5-9(11)6-3-4-8(10)7-9/h8,10-11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of cis-(1R,3R)-1-propylcyclohexane-1,3-diol?
cis-(1R,3R)-1-propylcyclohexane-1,3-diol has a molecular weight of 158.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-propylcyclohexane-1,3-diol is sourced from PubChem (CID 172696211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).