methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate

C32H58O4 — CID 174928874

IUPACmethyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate
SMILESC=C(C(=O)OC)C1CCCCC1.C=C(CCCCCCCCCCCCCCCCCC)C(=O)OC
InChIInChI=1S/C22H42O2.C10H16O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(23)24-3;1-8(10(11)12-2)9-6-4-3-5-7-9/h2,4-20H2,1,3H3;9H,1,3-7H2,2H3
InChIKeyLLOUZAVYBKQFNC-UHFFFAOYSA-N
MW506.81 g/mol
LogP9.66
Rot. Bonds20

About methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate

methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate (PubChem CID 174928874) has the molecular formula C32H58O4 and a molecular weight of 506.81 g/mol. Its IUPAC name is methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate.

Molecular Properties

Compound Namemethyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate
PubChem CID174928874
Molecular FormulaC32H58O4
Molecular Weight506.81 g/mol
Exact Mass506.43
IUPAC Namemethyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate
SMILESC=C(C(=O)OC)C1CCCCC1.C=C(CCCCCCCCCCCCCCCCCC)C(=O)OC
InChIInChI=1S/C22H42O2.C10H16O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(23)24-3;1-8(10(11)12-2)9-6-4-3-5-7-9/h2,4-20H2,1,3H3;9H,1,3-7H2,2H3
InChIKeyLLOUZAVYBKQFNC-UHFFFAOYSA-N
XLogP9.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.81
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-methylideneoctadec-9-enoate
CID 88735590
1-cyclohexyldecan-1-one
CID 63409715
methyl (9S,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383075
methyl (9R,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383073
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
11-methylidenetricosan-12-one
CID 146586592
1-cyclopropyl-2-methylidenepentadecan-1-one
CID 67378956
cyclopentanecarbaldehyde;methyl heptanoate
CID 143522930
(Z)-4-ethoxy-4-oxobut-2-enoic acid;methyl 2-cyclohexylprop-2-enoate
CID 174885939
propyl 2-cyclopentylprop-2-enoate
CID 174733277
methyl 2-methylidenehexanoate;2-methylprop-2-enoic acid
CID 141470082
ethyl 2-methylideneicosanoate
CID 22336431

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate?
The IUPAC name of methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate (CID 174928874) is methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate.
What is the SMILES notation for methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate?
The canonical SMILES for methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate is C=C(C(=O)OC)C1CCCCC1.C=C(CCCCCCCCCCCCCCCCCC)C(=O)OC.
What is the InChIKey of methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate?
The InChIKey is LLOUZAVYBKQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2.C10H16O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(23)24-3;1-8(10(11)12-2)9-6-4-3-5-7-9/h2,4-20H2,1,3H3;9H,1,3-7H2,2H3.
What are the key properties of methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate?
methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate has a molecular weight of 506.81 g/mol, XLogP of 9.66, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate is sourced from PubChem (CID 174928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).