cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol

C33H56O2 — CID 67789944

IUPACcyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol
SMILESC1CC1OC1CC1.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCCO
InChIInChI=1S/C27H46O.C6H10O/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28;1-2-5(1)7-6-3-4-6/h13-15,19-20,28H,7-12,16-18,21-22H2,1-6H3;5-6H,1-4H2
InChIKeyCCPBXAVMGCVGQF-UHFFFAOYSA-N
MW484.81 g/mol
LogP9.96
Rot. Bonds17

About cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol

cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol (PubChem CID 67789944) has the molecular formula C33H56O2 and a molecular weight of 484.81 g/mol. Its IUPAC name is cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol.

Molecular Properties

Compound Namecyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol
PubChem CID67789944
Molecular FormulaC33H56O2
Molecular Weight484.81 g/mol
Exact Mass484.43
IUPAC Namecyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol
SMILESC1CC1OC1CC1.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCCO
InChIInChI=1S/C27H46O.C6H10O/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28;1-2-5(1)7-6-3-4-6/h13-15,19-20,28H,7-12,16-18,21-22H2,1-6H3;5-6H,1-4H2
InChIKeyCCPBXAVMGCVGQF-UHFFFAOYSA-N
XLogP9.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol with MolForge

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Related Compounds

cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 67790296
cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol
CID 67789961
5,10,14,18-tetramethylnonadeca-5,9,13,17-tetraenoxycyclopropane
CID 57232099
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(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
26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene
CID 162298741
(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
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117

Frequently Asked Questions

What is the IUPAC name of cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol?
The IUPAC name of cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol (CID 67789944) is cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol.
What is the SMILES notation for cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol?
The canonical SMILES for cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol is C1CC1OC1CC1.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCCO.
What is the InChIKey of cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol?
The InChIKey is CCPBXAVMGCVGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O.C6H10O/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28;1-2-5(1)7-6-3-4-6/h13-15,19-20,28H,7-12,16-18,21-22H2,1-6H3;5-6H,1-4H2.
What are the key properties of cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol?
cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol has a molecular weight of 484.81 g/mol, XLogP of 9.96, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol is sourced from PubChem (CID 67789944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).