4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane

C33H54O2 — CID 70136776

IUPAC4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane
SMILESC=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C33H54O2/c1-25(2)15-12-16-26(3)17-13-18-27(4)19-14-20-28(5)33-34-31(29-21-8-6-9-22-29)32(35-33)30-23-10-7-11-24-30/h15,17,19,29-33H,5-14,16,18,20-24H2,1-4H3/b26-17+,27-19+
InChIKeyRQDOLYAUYUZSJZ-QRFHUDMDSA-N
MW482.79 g/mol
LogP10.01
Rot. Bonds12

About 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane

4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane (PubChem CID 70136776) has the molecular formula C33H54O2 and a molecular weight of 482.79 g/mol. Its IUPAC name is 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane
PubChem CID70136776
Molecular FormulaC33H54O2
Molecular Weight482.79 g/mol
Exact Mass482.41
IUPAC Name4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane
SMILESC=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C33H54O2/c1-25(2)15-12-16-26(3)17-13-18-27(4)19-14-20-28(5)33-34-31(29-21-8-6-9-22-29)32(35-33)30-23-10-7-11-24-30/h15,17,19,29-33H,5-14,16,18,20-24H2,1-4H3/b26-17+,27-19+
InChIKeyRQDOLYAUYUZSJZ-QRFHUDMDSA-N
XLogP10.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

[5-carboxyoxy-2-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)-1,3-dioxolan-4-yl] hydrogen carbonate
CID 70265372
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
CID 124676145
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane?
The IUPAC name of 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane (CID 70136776) is 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane.
What is the SMILES notation for 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane?
The canonical SMILES for 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane is C=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1OC(C2CCCCC2)C(C2CCCCC2)O1.
What is the InChIKey of 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane?
The InChIKey is RQDOLYAUYUZSJZ-QRFHUDMDSA-N. The full InChI is InChI=1S/C33H54O2/c1-25(2)15-12-16-26(3)17-13-18-27(4)19-14-20-28(5)33-34-31(29-21-8-6-9-22-29)32(35-33)30-23-10-7-11-24-30/h15,17,19,29-33H,5-14,16,18,20-24H2,1-4H3/b26-17+,27-19+.
What are the key properties of 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane?
4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane has a molecular weight of 482.79 g/mol, XLogP of 10.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane is sourced from PubChem (CID 70136776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).