5-ethyl-3,8-dimethyl-1,6-dihydroazulene

C14H18 — CID 71349359

IUPAC5-ethyl-3,8-dimethyl-1,6-dihydroazulene
SMILESCCC1=CC2=C(CC=C2C)C(C)=CC1
InChIInChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNVMJWYJTLVURAS-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.32
Rot. Bonds1

About 5-ethyl-3,8-dimethyl-1,6-dihydroazulene

5-ethyl-3,8-dimethyl-1,6-dihydroazulene (PubChem CID 71349359) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-ethyl-3,8-dimethyl-1,6-dihydroazulene.

Molecular Properties

Compound Name5-ethyl-3,8-dimethyl-1,6-dihydroazulene
PubChem CID71349359
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-ethyl-3,8-dimethyl-1,6-dihydroazulene
SMILESCCC1=CC2=C(CC=C2C)C(C)=CC1
InChIInChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNVMJWYJTLVURAS-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,8-dimethyl-1,6-dihydroazulene?
The IUPAC name of 5-ethyl-3,8-dimethyl-1,6-dihydroazulene (CID 71349359) is 5-ethyl-3,8-dimethyl-1,6-dihydroazulene.
What is the SMILES notation for 5-ethyl-3,8-dimethyl-1,6-dihydroazulene?
The canonical SMILES for 5-ethyl-3,8-dimethyl-1,6-dihydroazulene is CCC1=CC2=C(CC=C2C)C(C)=CC1.
What is the InChIKey of 5-ethyl-3,8-dimethyl-1,6-dihydroazulene?
The InChIKey is NVMJWYJTLVURAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 5-ethyl-3,8-dimethyl-1,6-dihydroazulene?
5-ethyl-3,8-dimethyl-1,6-dihydroazulene has a molecular weight of 186.30 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,8-dimethyl-1,6-dihydroazulene is sourced from PubChem (CID 71349359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).