(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane

C17H35F — CID 163690982

IUPAC(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
SMILESCCC(C)C(C(C)C)[C@@](C)(F)C(C(C)C)C(C)C
InChIInChI=1S/C17H35F/c1-10-14(8)16(13(6)7)17(9,18)15(11(2)3)12(4)5/h11-16H,10H2,1-9H3/t14?,16?,17-/m0/s1
InChIKeyAJQSLZNYLMTVQK-PREGVCBESA-N
MW258.46 g/mol
LogP5.96
Rot. Bonds7

About (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane

(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane (PubChem CID 163690982) has the molecular formula C17H35F and a molecular weight of 258.46 g/mol. Its IUPAC name is (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane.

Molecular Properties

Compound Name(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
PubChem CID163690982
Molecular FormulaC17H35F
Molecular Weight258.46 g/mol
Exact Mass258.27
IUPAC Name(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
SMILESCCC(C)C(C(C)C)[C@@](C)(F)C(C(C)C)C(C)C
InChIInChI=1S/C17H35F/c1-10-14(8)16(13(6)7)17(9,18)15(11(2)3)12(4)5/h11-16H,10H2,1-9H3/t14?,16?,17-/m0/s1
InChIKeyAJQSLZNYLMTVQK-PREGVCBESA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
6-Propyltridecane
CID 521567
3-Methylpentadecane
CID 17899
2,6,10-Trimethylpentadecane
CID 19775
7-Methylheptadecane
CID 30398
3-Methylheptadecane
CID 94321
Heptadecane, 5-methyl-
CID 185593
3-Methylheneicosane
CID 522120
5-Propyltridecane
CID 41310
3-Methylheptacosane
CID 85690

Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane?
The IUPAC name of (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane (CID 163690982) is (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane.
What is the SMILES notation for (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane?
The canonical SMILES for (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane is CCC(C)C(C(C)C)[C@@](C)(F)C(C(C)C)C(C)C.
What is the InChIKey of (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane?
The InChIKey is AJQSLZNYLMTVQK-PREGVCBESA-N. The full InChI is InChI=1S/C17H35F/c1-10-14(8)16(13(6)7)17(9,18)15(11(2)3)12(4)5/h11-16H,10H2,1-9H3/t14?,16?,17-/m0/s1.
What are the key properties of (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane?
(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane has a molecular weight of 258.46 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane is sourced from PubChem (CID 163690982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).