1-propylcyclodecane-1,2-diol

C13H26O2 — CID 173377333

IUPAC1-propylcyclodecane-1,2-diol
SMILESCCCC1(O)CCCCCCCCC1O
InChIInChI=1S/C13H26O2/c1-2-10-13(15)11-8-6-4-3-5-7-9-12(13)14/h12,14-15H,2-11H2,1H3
InChIKeyQZXUPALAKDPIKH-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.01
Rot. Bonds2

About 1-propylcyclodecane-1,2-diol

1-propylcyclodecane-1,2-diol (PubChem CID 173377333) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-propylcyclodecane-1,2-diol.

Molecular Properties

Compound Name1-propylcyclodecane-1,2-diol
PubChem CID173377333
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-propylcyclodecane-1,2-diol
SMILESCCCC1(O)CCCCCCCCC1O
InChIInChI=1S/C13H26O2/c1-2-10-13(15)11-8-6-4-3-5-7-9-12(13)14/h12,14-15H,2-11H2,1H3
InChIKeyQZXUPALAKDPIKH-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
CID 130991462
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
CID 135054569
2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
CID 139913828
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
2-ethyl-2-propylcyclopentan-1-ol
CID 20501781
2-cyclohexyl-1-ethylcyclohexan-1-ol
CID 43809276
1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
CID 90741869
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
2-tert-butyl-1-pentylcyclohexan-1-ol
CID 65147794
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413

Frequently Asked Questions

What is the IUPAC name of 1-propylcyclodecane-1,2-diol?
The IUPAC name of 1-propylcyclodecane-1,2-diol (CID 173377333) is 1-propylcyclodecane-1,2-diol.
What is the SMILES notation for 1-propylcyclodecane-1,2-diol?
The canonical SMILES for 1-propylcyclodecane-1,2-diol is CCCC1(O)CCCCCCCCC1O.
What is the InChIKey of 1-propylcyclodecane-1,2-diol?
The InChIKey is QZXUPALAKDPIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-10-13(15)11-8-6-4-3-5-7-9-12(13)14/h12,14-15H,2-11H2,1H3.
What are the key properties of 1-propylcyclodecane-1,2-diol?
1-propylcyclodecane-1,2-diol has a molecular weight of 214.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylcyclodecane-1,2-diol is sourced from PubChem (CID 173377333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).