(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol

C9H15FO — CID 24974006

IUPAC(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
SMILESC=C(C)C(O)CC/C(C)=C\F
InChIInChI=1S/C9H15FO/c1-7(2)9(11)5-4-8(3)6-10/h6,9,11H,1,4-5H2,2-3H3/b8-6-
InChIKeyAATMYSBTNFQKRW-VURMDHGXSA-N
MW158.22 g/mol
LogP2.58
Rot. Bonds4

About (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol

(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol (PubChem CID 24974006) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
PubChem CID24974006
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
SMILESC=C(C)C(O)CC/C(C)=C\F
InChIInChI=1S/C9H15FO/c1-7(2)9(11)5-4-8(3)6-10/h6,9,11H,1,4-5H2,2-3H3/b8-6-
InChIKeyAATMYSBTNFQKRW-VURMDHGXSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.58
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

2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
CID 162965161
(2E,4E,6E)-10-hydroxy-3,7,11-trimethyldodeca-2,4,6,11-tetraenoic acid
CID 21242366
2,6-dimethylhept-1-en-3-ol
CID 13208265
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
CID 72740292
2-methylnon-1-ene-3,7-diol
CID 140997811
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140
(2Z,4E,8E,12S)-12-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,13-tetraenal
CID 11120270
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
hepta-1,6-diene;2-methylhepta-1,6-dien-3-ol
CID 161073978
5-hydroxy-6-methylhept-6-enoate
CID 22417307
(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994

Frequently Asked Questions

What is the IUPAC name of (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol?
The IUPAC name of (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol (CID 24974006) is (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol.
What is the SMILES notation for (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol?
The canonical SMILES for (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol is C=C(C)C(O)CC/C(C)=C\F.
What is the InChIKey of (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol?
The InChIKey is AATMYSBTNFQKRW-VURMDHGXSA-N. The full InChI is InChI=1S/C9H15FO/c1-7(2)9(11)5-4-8(3)6-10/h6,9,11H,1,4-5H2,2-3H3/b8-6-.
What are the key properties of (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol?
(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol has a molecular weight of 158.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol is sourced from PubChem (CID 24974006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).