(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene

C14H27FO — CID 168881135

IUPAC(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene
SMILESC=CCCC[C@](C)(COC)[C@H](C)[C@H](F)CC
InChIInChI=1S/C14H27FO/c1-6-8-9-10-14(4,11-16-5)12(3)13(15)7-2/h6,12-13H,1,7-11H2,2-5H3/t12-,13-,14-/m1/s1
InChIKeyGVUARLPWHADUTM-MGPQQGTHSA-N
MW230.37 g/mol
LogP4.38
Rot. Bonds9

About (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene

(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene (PubChem CID 168881135) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene.

Molecular Properties

Compound Name(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene
PubChem CID168881135
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene
SMILESC=CCCC[C@](C)(COC)[C@H](C)[C@H](F)CC
InChIInChI=1S/C14H27FO/c1-6-8-9-10-14(4,11-16-5)12(3)13(15)7-2/h6,12-13H,1,7-11H2,2-5H3/t12-,13-,14-/m1/s1
InChIKeyGVUARLPWHADUTM-MGPQQGTHSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene?
The IUPAC name of (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene (CID 168881135) is (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene.
What is the SMILES notation for (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene?
The canonical SMILES for (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene is C=CCCC[C@](C)(COC)[C@H](C)[C@H](F)CC.
What is the InChIKey of (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene?
The InChIKey is GVUARLPWHADUTM-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H27FO/c1-6-8-9-10-14(4,11-16-5)12(3)13(15)7-2/h6,12-13H,1,7-11H2,2-5H3/t12-,13-,14-/m1/s1.
What are the key properties of (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene?
(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene has a molecular weight of 230.37 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene is sourced from PubChem (CID 168881135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).