6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane

C15H24 — CID 521569

IUPAC6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane
SMILESC=C1CCC2CC1C2(C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
InChIKeyDGZBGCMPRYFWFF-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds3

About 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane

6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane (PubChem CID 521569) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane
PubChem CID521569
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane
SMILESC=C1CCC2CC1C2(C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
InChIKeyDGZBGCMPRYFWFF-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
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

(+-)-alpha-Pinene
CID 6654
(-)-Caryophyllene
CID 5281515
Beta-Pinene
CID 14896
alpha-Pinene, (+)-
CID 82227
(-)-alpha-Pinene
CID 440968
Valencene
CID 9855795
(-)-beta-Pinene
CID 440967
(-)-Isocaryophyllene
CID 5281522
Copaene
CID 12303902
Trans-alpha-Bergamotene
CID 6429302
beta-Pinene, (+)-
CID 10290825
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 10123

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane?
The IUPAC name of 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane (CID 521569) is 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane.
What is the SMILES notation for 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane?
The canonical SMILES for 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane is C=C1CCC2CC1C2(C)CCC=C(C)C.
What is the InChIKey of 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane?
The InChIKey is DGZBGCMPRYFWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3.
What are the key properties of 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane?
6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane has a molecular weight of 204.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane is sourced from PubChem (CID 521569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).