(7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate

C19H30O2 — CID 57009633

IUPAC(7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC1=CCCC2CCC(C)C=C12
InChIInChI=1S/C19H30O2/c1-4-7-16(8-5-2)19(20)21-18-10-6-9-15-12-11-14(3)13-17(15)18/h10,13-16H,4-9,11-12H2,1-3H3
InChIKeyQELZJCBCDLOUCK-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.40
Rot. Bonds6

About (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate

(7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate (PubChem CID 57009633) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate.

Molecular Properties

Compound Name(7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate
PubChem CID57009633
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC1=CCCC2CCC(C)C=C12
InChIInChI=1S/C19H30O2/c1-4-7-16(8-5-2)19(20)21-18-10-6-9-15-12-11-14(3)13-17(15)18/h10,13-16H,4-9,11-12H2,1-3H3
InChIKeyQELZJCBCDLOUCK-UHFFFAOYSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Presuficidin B
CID 71607046
6-cyclohexyl-4-methyl-2H-pyran-2-one
CID 19858323
4-Methoxy-3-methyl-6-(5-methylhexyl)pyran-2-one
CID 146684007
CID 146684008
CID 146684008
4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione
CID 2728740
Photopyrone D
CID 71576813
Photopyrone B
CID 71576815
Violapyrone C
CID 101911211
5-Methyl-3-(2-methylbutyl)-6-pentan-2-ylpyran-2-one
CID 156581621
(5S,5aR,9aR)-1,5,8-trimethyl-5a,6,7,9a-tetrahydro-5H-benzo[e][1]benzofuran-2-one
CID 162789903
4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one
CID 146214
6-Cyclohexyl-3-methylpyran-2-one
CID 102261328

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate?
The IUPAC name of (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate (CID 57009633) is (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate.
What is the SMILES notation for (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate?
The canonical SMILES for (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate is CCCC(CCC)C(=O)OC1=CCCC2CCC(C)C=C12.
What is the InChIKey of (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate?
The InChIKey is QELZJCBCDLOUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-4-7-16(8-5-2)19(20)21-18-10-6-9-15-12-11-14(3)13-17(15)18/h10,13-16H,4-9,11-12H2,1-3H3.
What are the key properties of (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate?
(7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate has a molecular weight of 290.45 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl) 2-propylpentanoate is sourced from PubChem (CID 57009633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).