(3S,4R)-3-methylundec-1-en-4-ol

C12H24O — CID 10986975

IUPAC(3S,4R)-3-methylundec-1-en-4-ol
SMILESC=C[C@H](C)[C@H](O)CCCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-12(13)11(3)5-2/h5,11-13H,2,4,6-10H2,1,3H3/t11-,12+/m0/s1
InChIKeyPHLQICBBXIGYQD-NWDGAFQWSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds8

About (3S,4R)-3-methylundec-1-en-4-ol

(3S,4R)-3-methylundec-1-en-4-ol (PubChem CID 10986975) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (3S,4R)-3-methylundec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-methylundec-1-en-4-ol
PubChem CID10986975
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(3S,4R)-3-methylundec-1-en-4-ol
SMILESC=C[C@H](C)[C@H](O)CCCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-12(13)11(3)5-2/h5,11-13H,2,4,6-10H2,1,3H3/t11-,12+/m0/s1
InChIKeyPHLQICBBXIGYQD-NWDGAFQWSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
CID 24854557
3-hydroxy-2-methyldecanal
CID 87290911
(2S,3R)-3-hydroxy-2-methyloctanal
CID 134965378
nonacosane-14,15-diol
CID 91509633
(3S,5R,6R)-tridec-1-ene-3,5,6-triol
CID 88872101
(3R)-dec-1-en-3-ol
CID 12619485
undec-1-en-3-ol
CID 3015762
heptadec-1-en-3-ol
CID 11858939
4-ethyl-3-methyldodec-1-ene
CID 145405438
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methylundec-1-en-4-ol?
The IUPAC name of (3S,4R)-3-methylundec-1-en-4-ol (CID 10986975) is (3S,4R)-3-methylundec-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3-methylundec-1-en-4-ol?
The canonical SMILES for (3S,4R)-3-methylundec-1-en-4-ol is C=C[C@H](C)[C@H](O)CCCCCCC.
What is the InChIKey of (3S,4R)-3-methylundec-1-en-4-ol?
The InChIKey is PHLQICBBXIGYQD-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-9-10-12(13)11(3)5-2/h5,11-13H,2,4,6-10H2,1,3H3/t11-,12+/m0/s1.
What are the key properties of (3S,4R)-3-methylundec-1-en-4-ol?
(3S,4R)-3-methylundec-1-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methylundec-1-en-4-ol is sourced from PubChem (CID 10986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).