3-methyldec-3-ene

C11H22 — CID 544068

IUPAC3-methyldec-3-ene
SMILESCCCCCCC=C(C)CC
InChIInChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyGPVHYJXOEMPKHL-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.31
Rot. Bonds6

About 3-methyldec-3-ene

3-methyldec-3-ene (PubChem CID 544068) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-methyldec-3-ene.

Molecular Properties

Compound Name3-methyldec-3-ene
PubChem CID544068
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-methyldec-3-ene
SMILESCCCCCCC=C(C)CC
InChIInChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyGPVHYJXOEMPKHL-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.31
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

Terpinolene
CID 11463
Myrcene
CID 31253
Squalene
CID 638072
2-Octene
CID 5364448
beta-Farnesene
CID 5281517
1-Methylcyclohexene
CID 11574
Undecene
CID 5364452
Decene
CID 5364559
Tridecene
CID 5364435
3-Methyleneheptane
CID 15404
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Germacrene B
CID 5281519

Frequently Asked Questions

What is the IUPAC name of 3-methyldec-3-ene?
The IUPAC name of 3-methyldec-3-ene (CID 544068) is 3-methyldec-3-ene.
What is the SMILES notation for 3-methyldec-3-ene?
The canonical SMILES for 3-methyldec-3-ene is CCCCCCC=C(C)CC.
What is the InChIKey of 3-methyldec-3-ene?
The InChIKey is GPVHYJXOEMPKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 3-methyldec-3-ene?
3-methyldec-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldec-3-ene is sourced from PubChem (CID 544068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).