(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol

C13H24O — CID 24773196

IUPAC(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
SMILESCC[C@H](C)/C=C/C=C(\C)C[C@@H](C)CO
InChIInChI=1S/C13H24O/c1-5-11(2)7-6-8-12(3)9-13(4)10-14/h6-8,11,13-14H,5,9-10H2,1-4H3/b7-6+,12-8+/t11-,13+/m0/s1
InChIKeyVKZOCPRFYFCBGX-XSXWTYNNSA-N
MW196.33 g/mol
LogP3.55
Rot. Bonds6

About (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol

(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol (PubChem CID 24773196) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol.

Molecular Properties

Compound Name(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
PubChem CID24773196
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
SMILESCC[C@H](C)/C=C/C=C(\C)C[C@@H](C)CO
InChIInChI=1S/C13H24O/c1-5-11(2)7-6-8-12(3)9-13(4)10-14/h6-8,11,13-14H,5,9-10H2,1-4H3/b7-6+,12-8+/t11-,13+/m0/s1
InChIKeyVKZOCPRFYFCBGX-XSXWTYNNSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
CID 11367593
tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
CID 50993250
(E,2R)-2,4-dimethylhex-4-en-1-ol
CID 10103193
2-ethyl-6-methylocta-3,5-dien-1-ol
CID 88809517
4-ethenyl-3,8-dimethyldeca-2,4,6-triene
CID 123413794
2-butan-2-yl-6-methylocta-2,4-dien-1-amine
CID 88882583
3,6-dimethyloct-4-ene
CID 73165576
(5S)-5-[(1R,4E,6R,8E,10E,12S)-1-hydroxy-6,8,12-trimethyltetradeca-2,4,8,10-tetraenyl]-5-methylfuran-2-one
CID 177484904
(E)-4-methylhex-2-en-1-ol
CID 12036147
(E)-4,6-dimethyloct-3-en-2-ol
CID 87272848
4,6-dimethyloct-3-en-2-ol
CID 91470833
5-hydroxy-1-methyl-2-(5,7,11-trimethyltrideca-1,3,7,9-tetraenyl)-3,7-dioxabicyclo[4.1.0]heptan-4-one
CID 85045359

Frequently Asked Questions

What is the IUPAC name of (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol?
The IUPAC name of (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol (CID 24773196) is (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol.
What is the SMILES notation for (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol?
The canonical SMILES for (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol is CC[C@H](C)/C=C/C=C(\C)C[C@@H](C)CO.
What is the InChIKey of (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol?
The InChIKey is VKZOCPRFYFCBGX-XSXWTYNNSA-N. The full InChI is InChI=1S/C13H24O/c1-5-11(2)7-6-8-12(3)9-13(4)10-14/h6-8,11,13-14H,5,9-10H2,1-4H3/b7-6+,12-8+/t11-,13+/m0/s1.
What are the key properties of (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol?
(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol is sourced from PubChem (CID 24773196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).