(E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol

C12H24O — CID 170848560

IUPAC(E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol
SMILESC[C@@H](O)[C@@H](C)C/C=C/CC(C)(C)C
InChIInChI=1S/C12H24O/c1-10(11(2)13)8-6-7-9-12(3,4)5/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11+/m0/s1
InChIKeyNBWSMOYUQDDKAG-FQLSZKSXSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds4

About (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol

(E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol (PubChem CID 170848560) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol.

Molecular Properties

Compound Name(E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol
PubChem CID170848560
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol
SMILESC[C@@H](O)[C@@H](C)C/C=C/CC(C)(C)C
InChIInChI=1S/C12H24O/c1-10(11(2)13)8-6-7-9-12(3,4)5/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11+/m0/s1
InChIKeyNBWSMOYUQDDKAG-FQLSZKSXSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6437266
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
2-Ethyl-2-prenyl-3-hexenol
CID 174410
3-Hexen-1-ol, 2-ethyl-2-(3-methyl-2-butenyl)-
CID 6441969
6-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol
CID 109412
3-Methyldec-4-en-1-ol
CID 6428572
2-Cyclohexen-1-ol, 4,4,6-trimethyl-
CID 558612
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
CID 6504499
CID 106813
CID 106813
3,6-Dimethyl-3-vinylhept-5-en-2-ol
CID 3020401

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol?
The IUPAC name of (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol (CID 170848560) is (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol.
What is the SMILES notation for (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol?
The canonical SMILES for (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol is C[C@@H](O)[C@@H](C)C/C=C/CC(C)(C)C.
What is the InChIKey of (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol?
The InChIKey is NBWSMOYUQDDKAG-FQLSZKSXSA-N. The full InChI is InChI=1S/C12H24O/c1-10(11(2)13)8-6-7-9-12(3,4)5/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11+/m0/s1.
What are the key properties of (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol?
(E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3,8,8-trimethylnon-5-en-2-ol is sourced from PubChem (CID 170848560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).