2,3,10-trimethylundecan-4-ol

C14H30O — CID 156689827

IUPAC2,3,10-trimethylundecan-4-ol
SMILESCC(C)CCCCCC(O)C(C)C(C)C
InChIInChI=1S/C14H30O/c1-11(2)9-7-6-8-10-14(15)13(5)12(3)4/h11-15H,6-10H2,1-5H3
InChIKeyYFZISXRTEBQLBX-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds8

About 2,3,10-trimethylundecan-4-ol

2,3,10-trimethylundecan-4-ol (PubChem CID 156689827) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,3,10-trimethylundecan-4-ol.

Molecular Properties

Compound Name2,3,10-trimethylundecan-4-ol
PubChem CID156689827
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,3,10-trimethylundecan-4-ol
SMILESCC(C)CCCCCC(O)C(C)C(C)C
InChIInChI=1S/C14H30O/c1-11(2)9-7-6-8-10-14(15)13(5)12(3)4/h11-15H,6-10H2,1-5H3
InChIKeyYFZISXRTEBQLBX-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
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

2,3-dimethylundecan-4-ol
CID 115783082
16-methylheptadecane-7,8-diol
CID 118508542
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
(2S,3S)-2-amino-17-methyloctadecane-1,3-diol
CID 24740674
2,3-dihydroxy-12-methyltridecanoic acid
CID 86009261
2-bromo-8-methylnonane
CID 83169222
7-methyloctane-1,6-diol
CID 54253773
(2S)-24-methylpentacosane-1,2-diol
CID 162845743
(3R)-10-methylundecan-3-ol
CID 164999222
9-methyldecane-1,8-diol
CID 107094660
CID 6335748
CID 6335748

Frequently Asked Questions

What is the IUPAC name of 2,3,10-trimethylundecan-4-ol?
The IUPAC name of 2,3,10-trimethylundecan-4-ol (CID 156689827) is 2,3,10-trimethylundecan-4-ol.
What is the SMILES notation for 2,3,10-trimethylundecan-4-ol?
The canonical SMILES for 2,3,10-trimethylundecan-4-ol is CC(C)CCCCCC(O)C(C)C(C)C.
What is the InChIKey of 2,3,10-trimethylundecan-4-ol?
The InChIKey is YFZISXRTEBQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-11(2)9-7-6-8-10-14(15)13(5)12(3)4/h11-15H,6-10H2,1-5H3.
What are the key properties of 2,3,10-trimethylundecan-4-ol?
2,3,10-trimethylundecan-4-ol has a molecular weight of 214.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,10-trimethylundecan-4-ol is sourced from PubChem (CID 156689827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).