3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene

C15H24 — CID 585005

IUPAC3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene
SMILESCC1=C2CCC(C)=C2CC(C(C)C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10,13H,5-9H2,1-4H3
InChIKeyCVIGNZLXCQGQNR-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds1

About 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene

3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene (PubChem CID 585005) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene
PubChem CID585005
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene
SMILESCC1=C2CCC(C)=C2CC(C(C)C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10,13H,5-9H2,1-4H3
InChIKeyCVIGNZLXCQGQNR-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene?
The IUPAC name of 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene (CID 585005) is 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene?
The canonical SMILES for 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene is CC1=C2CCC(C)=C2CC(C(C)C)CC1.
What is the InChIKey of 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene?
The InChIKey is CVIGNZLXCQGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10,13H,5-9H2,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene?
3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-propan-2-yl-1,2,4,5,6,7-hexahydroazulene is sourced from PubChem (CID 585005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).