(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol

C10H16F2O — CID 101113458

IUPAC(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
SMILESC=C[C@](C)(O)C(F)(F)CC=C(C)C
InChIInChI=1S/C10H16F2O/c1-5-9(4,13)10(11,12)7-6-8(2)3/h5-6,13H,1,7H2,2-4H3/t9-/m0/s1
InChIKeySFKFLNGFEUIMTG-VIFPVBQESA-N
MW190.23 g/mol
LogP2.91
Rot. Bonds4

About (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol

(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol (PubChem CID 101113458) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
PubChem CID101113458
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
SMILESC=C[C@](C)(O)C(F)(F)CC=C(C)C
InChIInChI=1S/C10H16F2O/c1-5-9(4,13)10(11,12)7-6-8(2)3/h5-6,13H,1,7H2,2-4H3/t9-/m0/s1
InChIKeySFKFLNGFEUIMTG-VIFPVBQESA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.91
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

4,7-dimethylocta-1,6-dien-4-ol
CID 537672
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
2-hydroxy-2,5-dimethylhex-4-enamide
CID 140574354
5-isocyano-2,5-dimethylhex-2-ene
CID 59350160
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
CID 24977374
(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
CID 89307025
3,6-dimethylhept-5-en-1-yn-3-ol
CID 154089288
2-fluoro-2-(3-methylbut-2-enyl)propanedioic acid
CID 122239916
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
N-[(E)-(2-ethenyl-2,5-dimethylhex-4-enylidene)amino]-N-methylmethanamine
CID 10559744
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol?
The IUPAC name of (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol (CID 101113458) is (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol is C=C[C@](C)(O)C(F)(F)CC=C(C)C.
What is the InChIKey of (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol?
The InChIKey is SFKFLNGFEUIMTG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16F2O/c1-5-9(4,13)10(11,12)7-6-8(2)3/h5-6,13H,1,7H2,2-4H3/t9-/m0/s1.
What are the key properties of (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol?
(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol has a molecular weight of 190.23 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 101113458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).