2,4,8-trimethylnon-7-en-3-ol

C12H24O — CID 3015367

IUPAC2,4,8-trimethylnon-7-en-3-ol
SMILESCC(C)=CCCC(C)C(O)C(C)C
InChIInChI=1S/C12H24O/c1-9(2)7-6-8-11(5)12(13)10(3)4/h7,10-13H,6,8H2,1-5H3
InChIKeyQVHCKTZIQCDTFT-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds5

About 2,4,8-trimethylnon-7-en-3-ol

2,4,8-trimethylnon-7-en-3-ol (PubChem CID 3015367) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,4,8-trimethylnon-7-en-3-ol.

Molecular Properties

Compound Name2,4,8-trimethylnon-7-en-3-ol
PubChem CID3015367
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,4,8-trimethylnon-7-en-3-ol
SMILESCC(C)=CCCC(C)C(O)C(C)C
InChIInChI=1S/C12H24O/c1-9(2)7-6-8-11(5)12(13)10(3)4/h7,10-13H,6,8H2,1-5H3
InChIKeyQVHCKTZIQCDTFT-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

4,8-dimethylnon-7-en-3-ol
CID 3015366
3,7-dimethyl-2-propan-2-yloct-6-enenitrile
CID 86099595
(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
7,8-dichloro-2,6-dimethyloct-2-ene
CID 154099751
2,6,10-trimethyltridec-2-en-7-ol
CID 88508201
7-methyl-3-propan-2-ylocta-1,6-diene
CID 59961464
(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid
CID 88891643
(5R)-5,9-dimethyl-2-[(2R)-6-methylhept-5-en-2-yl]dec-8-en-1-ol
CID 129194196
3,3,4,8-tetramethylnon-7-en-2-ol
CID 58555248
2,6-dimethylhept-5-enal
CID 158364508
1-chloro-6-methylhept-5-en-2-ol
CID 13094458
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethylnon-7-en-3-ol?
The IUPAC name of 2,4,8-trimethylnon-7-en-3-ol (CID 3015367) is 2,4,8-trimethylnon-7-en-3-ol.
What is the SMILES notation for 2,4,8-trimethylnon-7-en-3-ol?
The canonical SMILES for 2,4,8-trimethylnon-7-en-3-ol is CC(C)=CCCC(C)C(O)C(C)C.
What is the InChIKey of 2,4,8-trimethylnon-7-en-3-ol?
The InChIKey is QVHCKTZIQCDTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)7-6-8-11(5)12(13)10(3)4/h7,10-13H,6,8H2,1-5H3.
What are the key properties of 2,4,8-trimethylnon-7-en-3-ol?
2,4,8-trimethylnon-7-en-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethylnon-7-en-3-ol is sourced from PubChem (CID 3015367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).