1-cyclopropylhexane-2,5-diol

C9H18O2 — CID 90882458

IUPAC1-cyclopropylhexane-2,5-diol
SMILESCC(O)CCC(O)CC1CC1
InChIInChI=1S/C9H18O2/c1-7(10)2-5-9(11)6-8-3-4-8/h7-11H,2-6H2,1H3
InChIKeyUNJXYVXAQXHGGM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds5

About 1-cyclopropylhexane-2,5-diol

1-cyclopropylhexane-2,5-diol (PubChem CID 90882458) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopropylhexane-2,5-diol.

Molecular Properties

Compound Name1-cyclopropylhexane-2,5-diol
PubChem CID90882458
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-cyclopropylhexane-2,5-diol
SMILESCC(O)CCC(O)CC1CC1
InChIInChI=1S/C9H18O2/c1-7(10)2-5-9(11)6-8-3-4-8/h7-11H,2-6H2,1H3
InChIKeyUNJXYVXAQXHGGM-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
5-cyclopropylpentan-2-ol
CID 67118909
pentadecane-2,5,8,11,14-pentol
CID 175190041
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
3-cyclopropylpropane-1,2-diol
CID 13302066
1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
CID 163989914
1-cyclopropyl-3-methylsulfonylpropan-2-ol
CID 112692656
butane-1,3-diol;[4-(hydroxymethyl)cyclohexyl]methanol
CID 174804124
1-[4-(aminomethyl)cyclohexyl]propan-2-ol
CID 70069622
ethane;hexane-2,5-diol
CID 143963822

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylhexane-2,5-diol?
The IUPAC name of 1-cyclopropylhexane-2,5-diol (CID 90882458) is 1-cyclopropylhexane-2,5-diol.
What is the SMILES notation for 1-cyclopropylhexane-2,5-diol?
The canonical SMILES for 1-cyclopropylhexane-2,5-diol is CC(O)CCC(O)CC1CC1.
What is the InChIKey of 1-cyclopropylhexane-2,5-diol?
The InChIKey is UNJXYVXAQXHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(10)2-5-9(11)6-8-3-4-8/h7-11H,2-6H2,1H3.
What are the key properties of 1-cyclopropylhexane-2,5-diol?
1-cyclopropylhexane-2,5-diol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylhexane-2,5-diol is sourced from PubChem (CID 90882458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).