7-methyl-3-(trifluoromethyl)oct-6-en-1-ol

C10H17F3O — CID 71725238

IUPAC7-methyl-3-(trifluoromethyl)oct-6-en-1-ol
SMILESCC(C)=CCCC(CCO)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-8(2)4-3-5-9(6-7-14)10(11,12)13/h4,9,14H,3,5-7H2,1-2H3
InChIKeyDNIRAXCMRRFFLM-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.29
Rot. Bonds5

About 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol

7-methyl-3-(trifluoromethyl)oct-6-en-1-ol (PubChem CID 71725238) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol.

Molecular Properties

Compound Name7-methyl-3-(trifluoromethyl)oct-6-en-1-ol
PubChem CID71725238
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name7-methyl-3-(trifluoromethyl)oct-6-en-1-ol
SMILESCC(C)=CCCC(CCO)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-8(2)4-3-5-9(6-7-14)10(11,12)13/h4,9,14H,3,5-7H2,1-2H3
InChIKeyDNIRAXCMRRFFLM-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Citronellol
CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
Dolichol-20
CID 6433320
4,8-Dimethyl-7-nonen-2-ol
CID 162418
3,7-Dimethylnon-6-en-1-ol
CID 544330
2,4,7-Trimethyloct-6-en-1-ol
CID 126505187
Geranylcitronellol
CID 5365870
Dihydrofarnesol
CID 5280341
Dolichol-16
CID 25245314
(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol
CID 24892719

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol?
The IUPAC name of 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol (CID 71725238) is 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol.
What is the SMILES notation for 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol?
The canonical SMILES for 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol is CC(C)=CCCC(CCO)C(F)(F)F.
What is the InChIKey of 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol?
The InChIKey is DNIRAXCMRRFFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-8(2)4-3-5-9(6-7-14)10(11,12)13/h4,9,14H,3,5-7H2,1-2H3.
What are the key properties of 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol?
7-methyl-3-(trifluoromethyl)oct-6-en-1-ol has a molecular weight of 210.24 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(trifluoromethyl)oct-6-en-1-ol is sourced from PubChem (CID 71725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).