(2S,3S)-2,3,5-trimethylhex-4-en-1-ol

C9H18O — CID 118549067

IUPAC(2S,3S)-2,3,5-trimethylhex-4-en-1-ol
SMILESCC(C)=C[C@H](C)[C@H](C)CO
InChIInChI=1S/C9H18O/c1-7(2)5-8(3)9(4)6-10/h5,8-10H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyFAESICBYRIKDDI-DTWKUNHWSA-N
MW142.24 g/mol
LogP2.22
Rot. Bonds3

About (2S,3S)-2,3,5-trimethylhex-4-en-1-ol

(2S,3S)-2,3,5-trimethylhex-4-en-1-ol (PubChem CID 118549067) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3S)-2,3,5-trimethylhex-4-en-1-ol.

Molecular Properties

Compound Name(2S,3S)-2,3,5-trimethylhex-4-en-1-ol
PubChem CID118549067
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3S)-2,3,5-trimethylhex-4-en-1-ol
SMILESCC(C)=C[C@H](C)[C@H](C)CO
InChIInChI=1S/C9H18O/c1-7(2)5-8(3)9(4)6-10/h5,8-10H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyFAESICBYRIKDDI-DTWKUNHWSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.22
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

(2S,3R,4S)-3-methoxy-2,4,6-trimethylhept-5-en-1-ol
CID 59678397
2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol
CID 54468843
2-(2-methylprop-1-enyl)propane-1,3-diol
CID 15717631
2,4,6-trimethylhept-5-en-3-amine
CID 58879101
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(Z)-1,6-difluoro-2,4,5-trimethylhex-2-ene
CID 143009364
2,3,4-trimethylhept-5-en-1-ol
CID 123346743
[(2R,3R,4S)-1-iodo-2,4,6-trimethylhept-5-en-3-yl] acetate
CID 101266681
6-ethyl-2,4,5,8-tetramethylnon-2-ene
CID 123866412
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,5-trimethylhex-4-en-1-ol?
The IUPAC name of (2S,3S)-2,3,5-trimethylhex-4-en-1-ol (CID 118549067) is (2S,3S)-2,3,5-trimethylhex-4-en-1-ol.
What is the SMILES notation for (2S,3S)-2,3,5-trimethylhex-4-en-1-ol?
The canonical SMILES for (2S,3S)-2,3,5-trimethylhex-4-en-1-ol is CC(C)=C[C@H](C)[C@H](C)CO.
What is the InChIKey of (2S,3S)-2,3,5-trimethylhex-4-en-1-ol?
The InChIKey is FAESICBYRIKDDI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)5-8(3)9(4)6-10/h5,8-10H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,3S)-2,3,5-trimethylhex-4-en-1-ol?
(2S,3S)-2,3,5-trimethylhex-4-en-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,5-trimethylhex-4-en-1-ol is sourced from PubChem (CID 118549067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).