1-cyclopentyl-7-methyloctane-2,5-diol

C14H28O2 — CID 103160953

IUPAC1-cyclopentyl-7-methyloctane-2,5-diol
SMILESCC(C)CC(O)CCC(O)CC1CCCC1
InChIInChI=1S/C14H28O2/c1-11(2)9-13(15)7-8-14(16)10-12-5-3-4-6-12/h11-16H,3-10H2,1-2H3
InChIKeyYHRKFBBYCDECDP-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.11
Rot. Bonds7

About 1-cyclopentyl-7-methyloctane-2,5-diol

1-cyclopentyl-7-methyloctane-2,5-diol (PubChem CID 103160953) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclopentyl-7-methyloctane-2,5-diol.

Molecular Properties

Compound Name1-cyclopentyl-7-methyloctane-2,5-diol
PubChem CID103160953
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-cyclopentyl-7-methyloctane-2,5-diol
SMILESCC(C)CC(O)CCC(O)CC1CCCC1
InChIInChI=1S/C14H28O2/c1-11(2)9-13(15)7-8-14(16)10-12-5-3-4-6-12/h11-16H,3-10H2,1-2H3
InChIKeyYHRKFBBYCDECDP-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1-cyclohexyl-6-methylheptane-2,4-diol
CID 173250018
1-cyclopropylhexane-2,5-diol
CID 90882458
1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
(4S,6S)-4-(cyclohexylmethyl)-6-hydroxy-8-methylnonan-2-one
CID 67566331
1-cyclopentyl-4-ethylhexane-2,5-diol
CID 103160935
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclopentyl-4-ethylsulfanylbutan-2-ol
CID 116504666
7-cyclopentyl-6-hydroxyheptan-3-one
CID 103159212
1-cycloheptylhept-5-yn-2-ol
CID 115833770

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methyloctane-2,5-diol?
The IUPAC name of 1-cyclopentyl-7-methyloctane-2,5-diol (CID 103160953) is 1-cyclopentyl-7-methyloctane-2,5-diol.
What is the SMILES notation for 1-cyclopentyl-7-methyloctane-2,5-diol?
The canonical SMILES for 1-cyclopentyl-7-methyloctane-2,5-diol is CC(C)CC(O)CCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-7-methyloctane-2,5-diol?
The InChIKey is YHRKFBBYCDECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)9-13(15)7-8-14(16)10-12-5-3-4-6-12/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-7-methyloctane-2,5-diol?
1-cyclopentyl-7-methyloctane-2,5-diol has a molecular weight of 228.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methyloctane-2,5-diol is sourced from PubChem (CID 103160953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).