1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene

C22H40O4 — CID 159036419

IUPAC1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
SMILESC=C(C)C.CCCCCCCCCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C18H32O4.C4H8/c1-2-3-4-5-6-7-8-10-13-18(17(21)22)14-11-9-12-15(18)16(19)20;1-4(2)3/h15H,2-14H2,1H3,(H,19,20)(H,21,22);1H2,2-3H3
InChIKeyJVMYHWMTZHMTBL-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.45
Rot. Bonds11

About 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene

1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene (PubChem CID 159036419) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene.

Molecular Properties

Compound Name1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
PubChem CID159036419
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Name1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
SMILESC=C(C)C.CCCCCCCCCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C18H32O4.C4H8/c1-2-3-4-5-6-7-8-10-13-18(17(21)22)14-11-9-12-15(18)16(19)20;1-4(2)3/h15H,2-14H2,1H3,(H,19,20)(H,21,22);1H2,2-3H3
InChIKeyJVMYHWMTZHMTBL-UHFFFAOYSA-N
XLogP6.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
1-(4-hydroxybutyl)cyclohexane-1,2-dicarboxylic acid
CID 90859114
1-tetradec-2-enylcyclohexane-1,2-dicarboxylic acid
CID 54086177
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
CID 121349084
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
1-heptyl-2-methylcyclopropane-1-carboxylic acid
CID 70266688
1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 67821374
2-ethyl-1-hexadecylcyclopropane-1-carboxylic acid
CID 57080968
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308

Frequently Asked Questions

What is the IUPAC name of 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
The IUPAC name of 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene (CID 159036419) is 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene.
What is the SMILES notation for 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
The canonical SMILES for 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene is C=C(C)C.CCCCCCCCCCC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
The InChIKey is JVMYHWMTZHMTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4.C4H8/c1-2-3-4-5-6-7-8-10-13-18(17(21)22)14-11-9-12-15(18)16(19)20;1-4(2)3/h15H,2-14H2,1H3,(H,19,20)(H,21,22);1H2,2-3H3.
What are the key properties of 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene has a molecular weight of 368.56 g/mol, XLogP of 6.45, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene is sourced from PubChem (CID 159036419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).