3,6,6-trimethyl-4-methylidenehept-1-ene

C11H20 — CID 71395032

IUPAC3,6,6-trimethyl-4-methylidenehept-1-ene
SMILESC=CC(C)C(=C)CC(C)(C)C
InChIInChI=1S/C11H20/c1-7-9(2)10(3)8-11(4,5)6/h7,9H,1,3,8H2,2,4-6H3
InChIKeyYOGRNQNOLBSVPN-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds3

About 3,6,6-trimethyl-4-methylidenehept-1-ene

3,6,6-trimethyl-4-methylidenehept-1-ene (PubChem CID 71395032) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,6,6-trimethyl-4-methylidenehept-1-ene.

Molecular Properties

Compound Name3,6,6-trimethyl-4-methylidenehept-1-ene
PubChem CID71395032
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,6,6-trimethyl-4-methylidenehept-1-ene
SMILESC=CC(C)C(=C)CC(C)(C)C
InChIInChI=1S/C11H20/c1-7-9(2)10(3)8-11(4,5)6/h7,9H,1,3,8H2,2,4-6H3
InChIKeyYOGRNQNOLBSVPN-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-4-methylidenehept-1-ene?
The IUPAC name of 3,6,6-trimethyl-4-methylidenehept-1-ene (CID 71395032) is 3,6,6-trimethyl-4-methylidenehept-1-ene.
What is the SMILES notation for 3,6,6-trimethyl-4-methylidenehept-1-ene?
The canonical SMILES for 3,6,6-trimethyl-4-methylidenehept-1-ene is C=CC(C)C(=C)CC(C)(C)C.
What is the InChIKey of 3,6,6-trimethyl-4-methylidenehept-1-ene?
The InChIKey is YOGRNQNOLBSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-7-9(2)10(3)8-11(4,5)6/h7,9H,1,3,8H2,2,4-6H3.
What are the key properties of 3,6,6-trimethyl-4-methylidenehept-1-ene?
3,6,6-trimethyl-4-methylidenehept-1-ene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-4-methylidenehept-1-ene is sourced from PubChem (CID 71395032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).