(1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate

C26H34O2 — CID 123753086

IUPAC(1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate
SMILESC=C(C)C(CC(C)C)c1ccc2cc(C(=O)OC3(CC)CCCC3)ccc2c1
InChIInChI=1S/C26H34O2/c1-6-26(13-7-8-14-26)28-25(27)23-12-10-20-16-22(11-9-21(20)17-23)24(19(4)5)15-18(2)3/h9-12,16-18,24H,4,6-8,13-15H2,1-3,5H3
InChIKeyIGGFVHDTEAXLSS-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.43
Rot. Bonds7

About (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate

(1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate (PubChem CID 123753086) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate
PubChem CID123753086
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name(1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate
SMILESC=C(C)C(CC(C)C)c1ccc2cc(C(=O)OC3(CC)CCCC3)ccc2c1
InChIInChI=1S/C26H34O2/c1-6-26(13-7-8-14-26)28-25(27)23-12-10-20-16-22(11-9-21(20)17-23)24(19(4)5)15-18(2)3/h9-12,16-18,24H,4,6-8,13-15H2,1-3,5H3
InChIKeyIGGFVHDTEAXLSS-UHFFFAOYSA-N
XLogP7.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
3-(1-ethylcyclohexyl)oxycarbonylbenzenesulfonic acid
CID 174249446
(1-ethylcyclopentyl) 2-[4-[[4-(2,5-dimethylhexan-3-yl)phenyl]methoxy]phenoxy]acetate
CID 123769997
(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate
CID 164960055
(1-ethylcyclohexyl) 3,5-bis(fluorosulfonyloxy)benzoate
CID 126604209
(1-ethylcyclohexyl) 3-(5-ethyl-2,2,5-trimethylheptan-4-yl)benzoate
CID 123675780
(1-ethylcyclopentyl) 4-(2-ethenoxyethoxy)-3-iodobenzoate
CID 172518364
3-[4-(1-ethylcyclohexyl)oxycarbonylbenzoyl]oxy-2,2-difluoro-4-methylpentanoate
CID 156684614
(1-ethylcyclopentyl) 2-methyl-3-phenylbutanoate
CID 58836378
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
1-O-(1-ethylcyclopentyl) 4-O-(6-methylnaphthalen-2-yl) 2-methylidenebutanedioate
CID 89113997
1-O-(1-ethylcyclopentyl) 4-O-(7-methylnaphthalen-2-yl) 2-methylidenebutanedioate
CID 89113998

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate?
The IUPAC name of (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate (CID 123753086) is (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate.
What is the SMILES notation for (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate?
The canonical SMILES for (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate is C=C(C)C(CC(C)C)c1ccc2cc(C(=O)OC3(CC)CCCC3)ccc2c1.
What is the InChIKey of (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate?
The InChIKey is IGGFVHDTEAXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-6-26(13-7-8-14-26)28-25(27)23-12-10-20-16-22(11-9-21(20)17-23)24(19(4)5)15-18(2)3/h9-12,16-18,24H,4,6-8,13-15H2,1-3,5H3.
What are the key properties of (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate?
(1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate has a molecular weight of 378.56 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 6-(2,5-dimethylhex-1-en-3-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 123753086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).