3-methyltridecan-5-ol

C14H30O — CID 13025106

IUPAC3-methyltridecan-5-ol
SMILESCCCCCCCCC(O)CC(C)CC
InChIInChI=1S/C14H30O/c1-4-6-7-8-9-10-11-14(15)12-13(3)5-2/h13-15H,4-12H2,1-3H3
InChIKeyRLYSRWHIZPFAIZ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.53
Rot. Bonds10

About 3-methyltridecan-5-ol

3-methyltridecan-5-ol (PubChem CID 13025106) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-methyltridecan-5-ol.

Molecular Properties

Compound Name3-methyltridecan-5-ol
PubChem CID13025106
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-methyltridecan-5-ol
SMILESCCCCCCCCC(O)CC(C)CC
InChIInChI=1S/C14H30O/c1-4-6-7-8-9-10-11-14(15)12-13(3)5-2/h13-15H,4-12H2,1-3H3
InChIKeyRLYSRWHIZPFAIZ-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylundecane-1,4-diol
CID 149251762
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
(6S,8S)-heptacosane-6,8-diol
CID 10693038
(2R,4R)-decane-2,4-diol
CID 16752205
3,5-dimethylpentacosane
CID 86177199
(4S)-2-methylnonan-4-ol
CID 86308805
3-methylpentadec-14-en-5-ol
CID 10823994
icosan-3-ol
CID 14940768
(5S,7R)-dodecane-5,7-diol
CID 12060471
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007

Frequently Asked Questions

What is the IUPAC name of 3-methyltridecan-5-ol?
The IUPAC name of 3-methyltridecan-5-ol (CID 13025106) is 3-methyltridecan-5-ol.
What is the SMILES notation for 3-methyltridecan-5-ol?
The canonical SMILES for 3-methyltridecan-5-ol is CCCCCCCCC(O)CC(C)CC.
What is the InChIKey of 3-methyltridecan-5-ol?
The InChIKey is RLYSRWHIZPFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-4-6-7-8-9-10-11-14(15)12-13(3)5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-methyltridecan-5-ol?
3-methyltridecan-5-ol has a molecular weight of 214.39 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltridecan-5-ol is sourced from PubChem (CID 13025106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).