10-methylundec-3-ene

C12H24 — CID 544769

IUPAC10-methylundec-3-ene
SMILESCCC=CCCCCCC(C)C
InChIInChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h5-6,12H,4,7-11H2,1-3H3
InChIKeyVOGPAQXKZZCTMS-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds7

About 10-methylundec-3-ene

10-methylundec-3-ene (PubChem CID 544769) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 10-methylundec-3-ene.

Molecular Properties

Compound Name10-methylundec-3-ene
PubChem CID544769
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name10-methylundec-3-ene
SMILESCCC=CCCCCCC(C)C
InChIInChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h5-6,12H,4,7-11H2,1-3H3
InChIKeyVOGPAQXKZZCTMS-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
CID 173133172
8-methylnon-3-ene
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(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
2-methylhenicos-9-ene
CID 54211724

Frequently Asked Questions

What is the IUPAC name of 10-methylundec-3-ene?
The IUPAC name of 10-methylundec-3-ene (CID 544769) is 10-methylundec-3-ene.
What is the SMILES notation for 10-methylundec-3-ene?
The canonical SMILES for 10-methylundec-3-ene is CCC=CCCCCCC(C)C.
What is the InChIKey of 10-methylundec-3-ene?
The InChIKey is VOGPAQXKZZCTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h5-6,12H,4,7-11H2,1-3H3.
What are the key properties of 10-methylundec-3-ene?
10-methylundec-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundec-3-ene is sourced from PubChem (CID 544769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).