(3S,5S)-5,9-dimethyldec-9-en-3-ol

C12H24O — CID 92860070

IUPAC(3S,5S)-5,9-dimethyldec-9-en-3-ol
SMILESC=C(C)CCC[C@H](C)C[C@@H](O)CC
InChIInChI=1S/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h11-13H,2,5-9H2,1,3-4H3/t11-,12-/m0/s1
InChIKeyCNGGPKWJEPGPQH-RYUDHWBXSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds7

About (3S,5S)-5,9-dimethyldec-9-en-3-ol

(3S,5S)-5,9-dimethyldec-9-en-3-ol (PubChem CID 92860070) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (3S,5S)-5,9-dimethyldec-9-en-3-ol.

Molecular Properties

Compound Name(3S,5S)-5,9-dimethyldec-9-en-3-ol
PubChem CID92860070
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(3S,5S)-5,9-dimethyldec-9-en-3-ol
SMILESC=C(C)CCC[C@H](C)C[C@@H](O)CC
InChIInChI=1S/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h11-13H,2,5-9H2,1,3-4H3/t11-,12-/m0/s1
InChIKeyCNGGPKWJEPGPQH-RYUDHWBXSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethylnon-1-ene
CID 123682074
5,9-dimethyldecan-3-ol
CID 545842
5-methyloctan-3-ol
CID 19931017
7-bromo-2,6-dimethylhept-1-ene
CID 114477377
7-iodo-2,6-dimethylhept-1-ene
CID 138692615
8-(dimethylamino)-5-methyloctan-3-ol
CID 89245449
13-ethyl-2,11,14-trimethylheptadec-1-ene
CID 123611134
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
2,7-dimethyloct-7-en-3-ol
CID 79185633
2,11-dimethylnonadec-1-ene
CID 123484198
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
N,2,6-trimethylhept-6-en-1-amine
CID 114477309

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5,9-dimethyldec-9-en-3-ol?
The IUPAC name of (3S,5S)-5,9-dimethyldec-9-en-3-ol (CID 92860070) is (3S,5S)-5,9-dimethyldec-9-en-3-ol.
What is the SMILES notation for (3S,5S)-5,9-dimethyldec-9-en-3-ol?
The canonical SMILES for (3S,5S)-5,9-dimethyldec-9-en-3-ol is C=C(C)CCC[C@H](C)C[C@@H](O)CC.
What is the InChIKey of (3S,5S)-5,9-dimethyldec-9-en-3-ol?
The InChIKey is CNGGPKWJEPGPQH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h11-13H,2,5-9H2,1,3-4H3/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-5,9-dimethyldec-9-en-3-ol?
(3S,5S)-5,9-dimethyldec-9-en-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5,9-dimethyldec-9-en-3-ol is sourced from PubChem (CID 92860070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).