cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

C23H40O2 — CID 67790296

IUPACcyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESC1CC1OC1CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO
InChIInChI=1S/C17H30O.C6H10O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18;1-2-5(1)7-6-3-4-6/h9-10,13,18H,5-8,11-12,14H2,1-4H3;5-6H,1-4H2/b16-10+,17-13+;
InChIKeyLBVSNYUMPLEVDR-JFNHKWSOSA-N
MW348.57 g/mol
LogP6.51
Rot. Bonds11

About cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (PubChem CID 67790296) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Namecyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
PubChem CID67790296
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Namecyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESC1CC1OC1CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO
InChIInChI=1S/C17H30O.C6H10O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18;1-2-5(1)7-6-3-4-6/h9-10,13,18H,5-8,11-12,14H2,1-4H3;5-6H,1-4H2/b16-10+,17-13+;
InChIKeyLBVSNYUMPLEVDR-JFNHKWSOSA-N
XLogP6.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.51
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;(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-ol
CID 67789961
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
5,10,14,18-tetramethylnonadeca-5,9,13,17-tetraenoxycyclopropane
CID 57232099
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(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
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 57281469
(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

Frequently Asked Questions

What is the IUPAC name of cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The IUPAC name of cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (CID 67790296) is cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The canonical SMILES for cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is C1CC1OC1CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO.
What is the InChIKey of cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The InChIKey is LBVSNYUMPLEVDR-JFNHKWSOSA-N. The full InChI is InChI=1S/C17H30O.C6H10O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18;1-2-5(1)7-6-3-4-6/h9-10,13,18H,5-8,11-12,14H2,1-4H3;5-6H,1-4H2/b16-10+,17-13+;.
What are the key properties of cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol has a molecular weight of 348.57 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 67790296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).