1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol

C19H29F3O2 — CID 170050774

IUPAC1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol
SMILESC/C=C(\C=C(C(=C/CCC)/C1(O)CC1)\C(F)(F)F)OCCC(C)C
InChIInChI=1S/C19H29F3O2/c1-5-7-8-16(18(23)10-11-18)17(19(20,21)22)13-15(6-2)24-12-9-14(3)4/h6,8,13-14,23H,5,7,9-12H2,1-4H3/b15-6+,16-8-,17-13+
InChIKeyCOVPUTYDTLNKSQ-ZPPRUJRKSA-N
MW346.43 g/mol
LogP5.69
Rot. Bonds9

About 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol

1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol (PubChem CID 170050774) has the molecular formula C19H29F3O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol
PubChem CID170050774
Molecular FormulaC19H29F3O2
Molecular Weight346.43 g/mol
Exact Mass346.21
IUPAC Name1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol
SMILESC/C=C(\C=C(C(=C/CCC)/C1(O)CC1)\C(F)(F)F)OCCC(C)C
InChIInChI=1S/C19H29F3O2/c1-5-7-8-16(18(23)10-11-18)17(19(20,21)22)13-15(6-2)24-12-9-14(3)4/h6,8,13-14,23H,5,7,9-12H2,1-4H3/b15-6+,16-8-,17-13+
InChIKeyCOVPUTYDTLNKSQ-ZPPRUJRKSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[2-Methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
CID 91103722
(3E,8E)-2-ethoxy-6-ethyl-5-methyl-9-(trifluoromethyl)undeca-1,3,8-triene-4,5-diol
CID 169697025
(3Z,4E,6E)-3-ethylidene-2-methyl-6-(3-methylbutoxy)-4-(trifluoromethyl)octa-4,6-dien-1-ol
CID 170050757
(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol
CID 126762807

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol (CID 170050774) is 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol is C/C=C(\C=C(C(=C/CCC)/C1(O)CC1)\C(F)(F)F)OCCC(C)C.
What is the InChIKey of 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol?
The InChIKey is COVPUTYDTLNKSQ-ZPPRUJRKSA-N. The full InChI is InChI=1S/C19H29F3O2/c1-5-7-8-16(18(23)10-11-18)17(19(20,21)22)13-15(6-2)24-12-9-14(3)4/h6,8,13-14,23H,5,7,9-12H2,1-4H3/b15-6+,16-8-,17-13+.
What are the key properties of 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol?
1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol has a molecular weight of 346.43 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6E,8E)-8-(3-methylbutoxy)-6-(trifluoromethyl)deca-4,6,8-trien-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 170050774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).