2-ethyl-4-propan-2-yl-1,4-dihydroazulene

C15H20 — CID 21188928

IUPAC2-ethyl-4-propan-2-yl-1,4-dihydroazulene
SMILESCCC1=CC2=C(C=CC=CC2C(C)C)C1
InChIInChI=1S/C15H20/c1-4-12-9-13-7-5-6-8-14(11(2)3)15(13)10-12/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyHINLPMVYTMMOAV-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.42
Rot. Bonds2

About 2-ethyl-4-propan-2-yl-1,4-dihydroazulene

2-ethyl-4-propan-2-yl-1,4-dihydroazulene (PubChem CID 21188928) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yl-1,4-dihydroazulene.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yl-1,4-dihydroazulene
PubChem CID21188928
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name2-ethyl-4-propan-2-yl-1,4-dihydroazulene
SMILESCCC1=CC2=C(C=CC=CC2C(C)C)C1
InChIInChI=1S/C15H20/c1-4-12-9-13-7-5-6-8-14(11(2)3)15(13)10-12/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyHINLPMVYTMMOAV-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yl-1,4-dihydroazulene?
The IUPAC name of 2-ethyl-4-propan-2-yl-1,4-dihydroazulene (CID 21188928) is 2-ethyl-4-propan-2-yl-1,4-dihydroazulene.
What is the SMILES notation for 2-ethyl-4-propan-2-yl-1,4-dihydroazulene?
The canonical SMILES for 2-ethyl-4-propan-2-yl-1,4-dihydroazulene is CCC1=CC2=C(C=CC=CC2C(C)C)C1.
What is the InChIKey of 2-ethyl-4-propan-2-yl-1,4-dihydroazulene?
The InChIKey is HINLPMVYTMMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-12-9-13-7-5-6-8-14(11(2)3)15(13)10-12/h5-8,10-11,14H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-yl-1,4-dihydroazulene?
2-ethyl-4-propan-2-yl-1,4-dihydroazulene has a molecular weight of 200.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-yl-1,4-dihydroazulene is sourced from PubChem (CID 21188928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).