3,6-dimethyl-5-methylidenehept-1-ene

C10H18 — CID 91477493

IUPAC3,6-dimethyl-5-methylidenehept-1-ene
SMILESC=CC(C)CC(=C)C(C)C
InChIInChI=1S/C10H18/c1-6-9(4)7-10(5)8(2)3/h6,8-9H,1,5,7H2,2-4H3
InChIKeyYDUKJUXGHIZLBF-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds4

About 3,6-dimethyl-5-methylidenehept-1-ene

3,6-dimethyl-5-methylidenehept-1-ene (PubChem CID 91477493) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3,6-dimethyl-5-methylidenehept-1-ene.

Molecular Properties

Compound Name3,6-dimethyl-5-methylidenehept-1-ene
PubChem CID91477493
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3,6-dimethyl-5-methylidenehept-1-ene
SMILESC=CC(C)CC(=C)C(C)C
InChIInChI=1S/C10H18/c1-6-9(4)7-10(5)8(2)3/h6,8-9H,1,5,7H2,2-4H3
InChIKeyYDUKJUXGHIZLBF-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.41
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

6-ethyl-3,7-dimethyl-5-methylideneoct-1-ene
CID 123651388
5-methyl-4-methylidenehexan-2-amine
CID 126496913
(4E)-4-(hydroxymethylidene)-2,6-dimethyloct-7-en-3-one
CID 21159772
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
N,N,3-trimethylpent-4-enamide
CID 10654310
ethyl (3R)-3-methylpent-4-enoate
CID 173481995
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
2-diazo-5-methylhept-6-en-3-one
CID 72564197
2,6-dimethylocta-1,3,7-triene
CID 522318
(4R,6S)-4,6-dimethyloct-7-en-2-one
CID 59788969
2,3,5,8-tetramethyldeca-1,5,9-triene
CID 549653
2,6-dimethyl-5-methylidenehept-2-ene
CID 86124374

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-methylidenehept-1-ene?
The IUPAC name of 3,6-dimethyl-5-methylidenehept-1-ene (CID 91477493) is 3,6-dimethyl-5-methylidenehept-1-ene.
What is the SMILES notation for 3,6-dimethyl-5-methylidenehept-1-ene?
The canonical SMILES for 3,6-dimethyl-5-methylidenehept-1-ene is C=CC(C)CC(=C)C(C)C.
What is the InChIKey of 3,6-dimethyl-5-methylidenehept-1-ene?
The InChIKey is YDUKJUXGHIZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6-9(4)7-10(5)8(2)3/h6,8-9H,1,5,7H2,2-4H3.
What are the key properties of 3,6-dimethyl-5-methylidenehept-1-ene?
3,6-dimethyl-5-methylidenehept-1-ene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-methylidenehept-1-ene is sourced from PubChem (CID 91477493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).