1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone

C19H32O — CID 114975947

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2CCC3CCCCC3C2)CC1
InChIInChI=1S/C19H32O/c1-2-14-7-9-16(10-8-14)19(20)18-12-11-15-5-3-4-6-17(15)13-18/h14-18H,2-13H2,1H3
InChIKeyGKKRGKQSZFZYAQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.38
Rot. Bonds3

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone (PubChem CID 114975947) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
PubChem CID114975947
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2CCC3CCCCC3C2)CC1
InChIInChI=1S/C19H32O/c1-2-14-7-9-16(10-8-14)19(20)18-12-11-15-5-3-4-6-17(15)13-18/h14-18H,2-13H2,1H3
InChIKeyGKKRGKQSZFZYAQ-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-ethylcyclopentyl)cyclohexane
CID 142208206
cyclohexyl-(4-cyclopentylcyclohexyl)methanone
CID 141495223
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-one
CID 107891225
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone (CID 114975947) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)C2CCC3CCCCC3C2)CC1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone?
The InChIKey is GKKRGKQSZFZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-2-14-7-9-16(10-8-14)19(20)18-12-11-15-5-3-4-6-17(15)13-18/h14-18H,2-13H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone has a molecular weight of 276.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 114975947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).