3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene

C15H20 — CID 171747830

IUPAC3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene
SMILESCC1=CC=C(C(C)C)CC2=C1CC=C2C
InChIInChI=1S/C15H20/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-7,10H,8-9H2,1-4H3
InChIKeySOYMUHFHBMNDRY-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.57
Rot. Bonds1

About 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene

3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene (PubChem CID 171747830) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene
PubChem CID171747830
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene
SMILESCC1=CC=C(C(C)C)CC2=C1CC=C2C
InChIInChI=1S/C15H20/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-7,10H,8-9H2,1-4H3
InChIKeySOYMUHFHBMNDRY-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,8-dimethyl-4,5,6,9-tetrahydro-3H-cyclopenta[f]azulene
CID 173271280
(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
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tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
4-chloro-5-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 175631703
1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
2-(3,8-dimethyl-5-propan-2-yl-4,7,8,8a-tetrahydro-3aH-azulen-1-ylidene)-4-(3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulen-1-yl)-3-hydroxycyclobutan-1-one
CID 91406502
3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-3,5,9-trien-1-one
CID 72739214
6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan
CID 167192777
4-chloro-1-propan-2-ylcyclohepta-1,3-dien-5-yne
CID 155265366
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 142044962

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene?
The IUPAC name of 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene (CID 171747830) is 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene?
The canonical SMILES for 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene is CC1=CC=C(C(C)C)CC2=C1CC=C2C.
What is the InChIKey of 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene?
The InChIKey is SOYMUHFHBMNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene?
3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulene has a molecular weight of 200.32 g/mol, XLogP of 4.57, 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-1,4-dihydroazulene is sourced from PubChem (CID 171747830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).