1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene

C16H24 — CID 175828959

IUPAC1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene
SMILESCC1=CC(C)=C(C(C)C)C=C2C(C)CCC12
InChIInChI=1S/C16H24/c1-10(2)15-9-16-11(3)6-7-14(16)12(4)8-13(15)5/h8-11,14H,6-7H2,1-5H3
InChIKeyBOESPTYZDMQZRE-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.89
Rot. Bonds1

About 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene

1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene (PubChem CID 175828959) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene.

Molecular Properties

Compound Name1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene
PubChem CID175828959
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene
SMILESCC1=CC(C)=C(C(C)C)C=C2C(C)CCC12
InChIInChI=1S/C16H24/c1-10(2)15-9-16-11(3)6-7-14(16)12(4)8-13(15)5/h8-11,14H,6-7H2,1-5H3
InChIKeyBOESPTYZDMQZRE-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(1S,2Z,5R,6R,9S,11E,16S)-2,9,12,16-tetramethyl-6-tricyclo[13.3.0.05,9]octadeca-2,11,14-trienyl]propanedioic acid
CID 162814831
1,4,7-trimethylcycloheptene
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(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
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(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
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(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one
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2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
CID 73047399
1,2,3,6-tetramethylcyclohexene
CID 21243938
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
1-methyl-2,3,3a,6-tetrahydro-1H-indene
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(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
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5,6-dimethyl-3-propan-2-yl-4,5-dihydro-1,3-benzoxazol-2-one
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3,4-dimethylcyclohex-2-en-1-ol
CID 101312113

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene?
The IUPAC name of 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene (CID 175828959) is 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene.
What is the SMILES notation for 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene?
The canonical SMILES for 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene is CC1=CC(C)=C(C(C)C)C=C2C(C)CCC12.
What is the InChIKey of 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene?
The InChIKey is BOESPTYZDMQZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-10(2)15-9-16-11(3)6-7-14(16)12(4)8-13(15)5/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene?
1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene has a molecular weight of 216.37 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-7-propan-2-yl-1,2,3,3a-tetrahydroazulene is sourced from PubChem (CID 175828959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).