4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol

C19H29F3O2 — CID 123743579

IUPAC4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol
SMILESCC=C(C(=C1CCC(OC)C1)C(C=CCC)CCCO)C(F)(F)F
InChIInChI=1S/C19H29F3O2/c1-4-6-8-14(9-7-12-23)18(17(5-2)19(20,21)22)15-10-11-16(13-15)24-3/h5-6,8,14,16,23H,4,7,9-13H2,1-3H3
InChIKeyUMIHKMUZSNJCJB-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.35
Rot. Bonds8

About 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol

4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol (PubChem CID 123743579) has the molecular formula C19H29F3O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol.

Molecular Properties

Compound Name4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol
PubChem CID123743579
Molecular FormulaC19H29F3O2
Molecular Weight346.43 g/mol
Exact Mass346.21
IUPAC Name4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol
SMILESCC=C(C(=C1CCC(OC)C1)C(C=CCC)CCCO)C(F)(F)F
InChIInChI=1S/C19H29F3O2/c1-4-6-8-14(9-7-12-23)18(17(5-2)19(20,21)22)15-10-11-16(13-15)24-3/h5-6,8,14,16,23H,4,7,9-13H2,1-3H3
InChIKeyUMIHKMUZSNJCJB-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol
CID 123265932
3-[3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol
CID 143901494
(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol
CID 143909306
(7Z)-7,8-difluoro-5-methyl-6-methylidenedeca-7,9-dien-2-ol
CID 144164036
(10Z)-10,11-difluoro-4,5,8-trimethyl-9-methylidenetrideca-10,12-dien-2-ol
CID 144405236
(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol
CID 143807318
(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol
CID 143814933
(Z)-7,8-difluoro-13-methoxy-5,10-dimethyl-6,9-dimethylidenetetradec-7-en-2-ol
CID 144164056
1-[4-(2-Ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol
CID 153206669
(2R)-1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propan-2-ol
CID 153669064
(1R,2R,3Z,12E)-2,4,14-trimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol
CID 162579998
2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol
CID 126626723

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol?
The IUPAC name of 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol (CID 123743579) is 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol.
What is the SMILES notation for 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol?
The canonical SMILES for 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol is CC=C(C(=C1CCC(OC)C1)C(C=CCC)CCCO)C(F)(F)F.
What is the InChIKey of 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol?
The InChIKey is UMIHKMUZSNJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O2/c1-4-6-8-14(9-7-12-23)18(17(5-2)19(20,21)22)15-10-11-16(13-15)24-3/h5-6,8,14,16,23H,4,7,9-13H2,1-3H3.
What are the key properties of 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol?
4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol has a molecular weight of 346.43 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol is sourced from PubChem (CID 123743579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).