6-methylhepta-1,5-dien-2-ylcyclopropane

C11H18 — CID 123347072

IUPAC6-methylhepta-1,5-dien-2-ylcyclopropane
SMILESC=C(CCC=C(C)C)C1CC1
InChIInChI=1S/C11H18/c1-9(2)5-4-6-10(3)11-7-8-11/h5,11H,3-4,6-8H2,1-2H3
InChIKeyCLOHSZKARJVNLP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds4

About 6-methylhepta-1,5-dien-2-ylcyclopropane

6-methylhepta-1,5-dien-2-ylcyclopropane (PubChem CID 123347072) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 6-methylhepta-1,5-dien-2-ylcyclopropane.

Molecular Properties

Compound Name6-methylhepta-1,5-dien-2-ylcyclopropane
PubChem CID123347072
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name6-methylhepta-1,5-dien-2-ylcyclopropane
SMILESC=C(CCC=C(C)C)C1CC1
InChIInChI=1S/C11H18/c1-9(2)5-4-6-10(3)11-7-8-11/h5,11H,3-4,6-8H2,1-2H3
InChIKeyCLOHSZKARJVNLP-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
alpha-Bisabolene
CID 86597
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974
alpha-Bisabolene, (E)-
CID 5315468
beta-Terpinene
CID 66841
Germacrene A
CID 5835162

Frequently Asked Questions

What is the IUPAC name of 6-methylhepta-1,5-dien-2-ylcyclopropane?
The IUPAC name of 6-methylhepta-1,5-dien-2-ylcyclopropane (CID 123347072) is 6-methylhepta-1,5-dien-2-ylcyclopropane.
What is the SMILES notation for 6-methylhepta-1,5-dien-2-ylcyclopropane?
The canonical SMILES for 6-methylhepta-1,5-dien-2-ylcyclopropane is C=C(CCC=C(C)C)C1CC1.
What is the InChIKey of 6-methylhepta-1,5-dien-2-ylcyclopropane?
The InChIKey is CLOHSZKARJVNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9(2)5-4-6-10(3)11-7-8-11/h5,11H,3-4,6-8H2,1-2H3.
What are the key properties of 6-methylhepta-1,5-dien-2-ylcyclopropane?
6-methylhepta-1,5-dien-2-ylcyclopropane has a molecular weight of 150.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhepta-1,5-dien-2-ylcyclopropane is sourced from PubChem (CID 123347072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).