3-methylidenepentane

C6H12 — CID 12970

IUPAC3-methylidenepentane
SMILESC=C(CC)CC
InChIInChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3
InChIKeyRYKZRKKEYSRDNF-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds2

About 3-methylidenepentane

3-methylidenepentane (PubChem CID 12970) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 3-methylidenepentane.

Molecular Properties

Compound Name3-methylidenepentane
PubChem CID12970
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name3-methylidenepentane
SMILESC=C(CC)CC
InChIInChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3
InChIKeyRYKZRKKEYSRDNF-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-butene
CID 11240
2-Methyl-1-pentene
CID 12986
2,5-Dimethyl-1,5-hexadiene
CID 12322
2-Methyl-1-hexene
CID 22468
2,3-Dimethyl-1,3-butadiene
CID 10566
2,3-Dimethyl-1-butene
CID 11249
2-Methyl-1,5-hexadiene
CID 19965
2-Methyl-3-methylenepentane
CID 81818
3-Methyl-1,2-pentadiene
CID 81912
2,4-Dimethyl-1,4-pentadiene
CID 138137
3-Methylidenehexane
CID 520668
2,3-Bis[(~2~H_3_)methyl](~2~H_4_)buta-1,3-diene
CID 71310103

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepentane?
The IUPAC name of 3-methylidenepentane (CID 12970) is 3-methylidenepentane.
What is the SMILES notation for 3-methylidenepentane?
The canonical SMILES for 3-methylidenepentane is C=C(CC)CC.
What is the InChIKey of 3-methylidenepentane?
The InChIKey is RYKZRKKEYSRDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3.
What are the key properties of 3-methylidenepentane?
3-methylidenepentane has a molecular weight of 84.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepentane is sourced from PubChem (CID 12970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).