1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one

C16H26O — CID 114978305

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)C1CCC2CCCCC2C1
InChIInChI=1S/C16H26O/c17-16(10-7-12-5-6-12)15-9-8-13-3-1-2-4-14(13)11-15/h12-15H,1-11H2
InChIKeyMWJZXTUREJGBJH-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.35
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one (PubChem CID 114978305) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
PubChem CID114978305
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)C1CCC2CCCCC2C1
InChIInChI=1S/C16H26O/c17-16(10-7-12-5-6-12)15-9-8-13-3-1-2-4-14(13)11-15/h12-15H,1-11H2
InChIKeyMWJZXTUREJGBJH-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one with MolForge

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Related Compounds

2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
CID 118134
(-)-Valeranone
CID 10198387
2(1H)-Naphthalenone, octahydro-, cis-
CID 246289
2-Decalone, trans-
CID 85944
3-Thujopsanone
CID 13893399
4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 527498
4-Ethyloctahydro-8-methyl-1(2H)-naphthalenone
CID 23103000
2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel-
CID 98498
6,6,10-Trimethyldecal-2-one
CID 6429085
(+)-Mayurone
CID 13154078
Bicyclo[4.4.0]decan-1-one
CID 98501
2(1H)-Naphthalenone, octahydro-, trans-
CID 7166675

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one (CID 114978305) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one is O=C(CCC1CC1)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one?
The InChIKey is MWJZXTUREJGBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c17-16(10-7-12-5-6-12)15-9-8-13-3-1-2-4-14(13)11-15/h12-15H,1-11H2.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 114978305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).