1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene

C15H22 — CID 526687

IUPAC1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene
SMILESC=C1C=CC2C(C3C(C)CCC13)C2(C)C
InChIInChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,8,10-14H,1,5,7H2,2-4H3
InChIKeyOXBYVYGWWRTWMD-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.05
Rot. Bonds

About 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene

1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene (PubChem CID 526687) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene.

Molecular Properties

Compound Name1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene
PubChem CID526687
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene
SMILESC=C1C=CC2C(C3C(C)CCC13)C2(C)C
InChIInChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,8,10-14H,1,5,7H2,2-4H3
InChIKeyOXBYVYGWWRTWMD-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene?
The IUPAC name of 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene (CID 526687) is 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene.
What is the SMILES notation for 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene?
The canonical SMILES for 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene is C=C1C=CC2C(C3C(C)CCC13)C2(C)C.
What is the InChIKey of 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene?
The InChIKey is OXBYVYGWWRTWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,8,10-14H,1,5,7H2,2-4H3.
What are the key properties of 1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene?
1,1,7-trimethyl-4-methylidene-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene has a molecular weight of 202.34 g/mol, XLogP of 4.05, 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-4a,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene is sourced from PubChem (CID 526687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).