propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate

C19H26O3 — CID 139803597

IUPACpropyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate
SMILESCCCOC(=O)OC1=CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C19H26O3/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)22-19(20)21-14-4-2/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3
InChIKeyVDHQYEQLGBNUGE-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.35
Rot. Bonds6

About propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate

propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate (PubChem CID 139803597) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate.

Molecular Properties

Compound Namepropyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate
PubChem CID139803597
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Namepropyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate
SMILESCCCOC(=O)OC1=CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C19H26O3/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)22-19(20)21-14-4-2/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3
InChIKeyVDHQYEQLGBNUGE-UHFFFAOYSA-N
XLogP5.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803625
[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate
CID 173400083
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate
CID 147533315
pentafluoro-[4-[4-(4-propylphenyl)cyclohexen-1-yl]phenyl]-λ6-sulfane
CID 88523437
1-ethyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene
CID 19983948
propyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate
CID 19986788
1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
CID 21464604
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene
CID 126501939
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 18659034

Frequently Asked Questions

What is the IUPAC name of propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate?
The IUPAC name of propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate (CID 139803597) is propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate.
What is the SMILES notation for propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate?
The canonical SMILES for propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate is CCCOC(=O)OC1=CCC(c2ccc(CCC)cc2)CC1.
What is the InChIKey of propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate?
The InChIKey is VDHQYEQLGBNUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)22-19(20)21-14-4-2/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3.
What are the key properties of propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate?
propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate has a molecular weight of 302.41 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate is sourced from PubChem (CID 139803597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).