1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene

C15H24 — CID 71335749

IUPAC1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene
SMILESC=C1CCC2C(C)C3C(C2CC1)C3(C)C
InChIInChI=1S/C15H24/c1-9-5-7-11-10(2)13-14(15(13,3)4)12(11)8-6-9/h10-14H,1,5-8H2,2-4H3
InChIKeyONZCHKZCMRYKHV-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds

About 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene

1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene (PubChem CID 71335749) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene.

Molecular Properties

Compound Name1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene
PubChem CID71335749
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene
SMILESC=C1CCC2C(C)C3C(C2CC1)C3(C)C
InChIInChI=1S/C15H24/c1-9-5-7-11-10(2)13-14(15(13,3)4)12(11)8-6-9/h10-14H,1,5-8H2,2-4H3
InChIKeyONZCHKZCMRYKHV-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.27
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 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene?
The IUPAC name of 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene (CID 71335749) is 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene.
What is the SMILES notation for 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene?
The canonical SMILES for 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene is C=C1CCC2C(C)C3C(C2CC1)C3(C)C.
What is the InChIKey of 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene?
The InChIKey is ONZCHKZCMRYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-9-5-7-11-10(2)13-14(15(13,3)4)12(11)8-6-9/h10-14H,1,5-8H2,2-4H3.
What are the key properties of 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene?
1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene has a molecular weight of 204.36 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene is sourced from PubChem (CID 71335749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).