carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene

C22H32O3 — CID 70500891

IUPACcarbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2ccc(C3CCCCC3)cc2)CC1.O=C(O)O
InChIInChI=1S/C21H30.CH2O3/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18;2-1(3)4/h2,13-19H,1,3-12H2;(H2,2,3,4)
InChIKeyPSXZOJYYQKIVCR-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.81
Rot. Bonds4

About carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene

carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene (PubChem CID 70500891) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene.

Molecular Properties

Compound Namecarbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene
PubChem CID70500891
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Namecarbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2ccc(C3CCCCC3)cc2)CC1.O=C(O)O
InChIInChI=1S/C21H30.CH2O3/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18;2-1(3)4/h2,13-19H,1,3-12H2;(H2,2,3,4)
InChIKeyPSXZOJYYQKIVCR-UHFFFAOYSA-N
XLogP6.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;prop-2-enylcyclopropane
CID 67833665
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
[4-(4-methylcyclohexyl)phenyl] 4-prop-2-enylcyclohexane-1-carboxylate
CID 59499026
methanesulfonic acid;[4-(4-prop-2-enylcyclohexyl)phenyl] trifluoromethanesulfonate
CID 174961457
2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol
CID 67822720
4-[4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]cyclohexyl]benzonitrile
CID 70442568
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
CID 20676986
2-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)phenol
CID 67892471
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
(4-prop-2-enylsulfanylphenyl) 4-(4-prop-2-enylcyclohexyl)benzoate
CID 67894022

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene?
The IUPAC name of carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene (CID 70500891) is carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene.
What is the SMILES notation for carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene?
The canonical SMILES for carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene is C=CCC1CCC(c2ccc(C3CCCCC3)cc2)CC1.O=C(O)O.
What is the InChIKey of carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene?
The InChIKey is PSXZOJYYQKIVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30.CH2O3/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18;2-1(3)4/h2,13-19H,1,3-12H2;(H2,2,3,4).
What are the key properties of carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene?
carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene has a molecular weight of 344.50 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene is sourced from PubChem (CID 70500891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).