cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol

C32H54O2 — CID 67789961

IUPACcyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol
SMILESC1CC1OC1CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCO
InChIInChI=1S/C26H44O.C6H10O/c1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27;1-2-5(1)7-6-3-4-6/h12-14,18-19,27H,7-11,15-17,20-21H2,1-6H3;5-6H,1-4H2/b23-13+,24-14+,25-18+,26-19+;
InChIKeyRIRAIPXAILTYSR-JVPPMTCHSA-N
MW470.78 g/mol
LogP9.57
Rot. Bonds16

About cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol

cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol (PubChem CID 67789961) has the molecular formula C32H54O2 and a molecular weight of 470.78 g/mol. Its IUPAC name is cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol.

Molecular Properties

Compound Namecyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol
PubChem CID67789961
Molecular FormulaC32H54O2
Molecular Weight470.78 g/mol
Exact Mass470.41
IUPAC Namecyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol
SMILESC1CC1OC1CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCO
InChIInChI=1S/C26H44O.C6H10O/c1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27;1-2-5(1)7-6-3-4-6/h12-14,18-19,27H,7-11,15-17,20-21H2,1-6H3;5-6H,1-4H2/b23-13+,24-14+,25-18+,26-19+;
InChIKeyRIRAIPXAILTYSR-JVPPMTCHSA-N
XLogP9.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.78
LogP ≤ 59.57
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'}

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Related Compounds

cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol
CID 67789944
cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 67790296
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
5,10,14,18-tetramethylnonadeca-5,9,13,17-tetraenoxycyclopropane
CID 57232099
(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
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589

Frequently Asked Questions

What is the IUPAC name of cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol?
The IUPAC name of cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol (CID 67789961) is cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol.
What is the SMILES notation for cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol?
The canonical SMILES for cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol is C1CC1OC1CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCO.
What is the InChIKey of cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol?
The InChIKey is RIRAIPXAILTYSR-JVPPMTCHSA-N. The full InChI is InChI=1S/C26H44O.C6H10O/c1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27;1-2-5(1)7-6-3-4-6/h12-14,18-19,27H,7-11,15-17,20-21H2,1-6H3;5-6H,1-4H2/b23-13+,24-14+,25-18+,26-19+;.
What are the key properties of cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol?
cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol has a molecular weight of 470.78 g/mol, XLogP of 9.57, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxycyclopropane;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol is sourced from PubChem (CID 67789961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).