(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene

C19H36F2 — CID 167169464

IUPAC(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene
SMILESCC/C=C(\C(C)CC(C)(C)C(C)(C)CCC)C(C)C(F)F
InChIInChI=1S/C19H36F2/c1-9-11-16(15(4)17(20)21)14(3)13-19(7,8)18(5,6)12-10-2/h11,14-15,17H,9-10,12-13H2,1-8H3/b16-11+
InChIKeyHSBKAORHBFYDFF-LFIBNONCSA-N
MW302.49 g/mol
LogP7.10
Rot. Bonds9

About (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene

(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene (PubChem CID 167169464) has the molecular formula C19H36F2 and a molecular weight of 302.49 g/mol. Its IUPAC name is (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene.

Molecular Properties

Compound Name(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene
PubChem CID167169464
Molecular FormulaC19H36F2
Molecular Weight302.49 g/mol
Exact Mass302.28
IUPAC Name(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene
SMILESCC/C=C(\C(C)CC(C)(C)C(C)(C)CCC)C(C)C(F)F
InChIInChI=1S/C19H36F2/c1-9-11-16(15(4)17(20)21)14(3)13-19(7,8)18(5,6)12-10-2/h11,14-15,17H,9-10,12-13H2,1-8H3/b16-11+
InChIKeyHSBKAORHBFYDFF-LFIBNONCSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 123816270
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CID 58432708
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
(Z)-3-fluoro-2-methylhex-3-ene
CID 23563725
3,4,6,7,7-pentamethyl-6-propan-2-yldecane
CID 123370123
4,5,6,7,8-pentamethyl-5-propyldec-3-ene
CID 123493683
4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene
CID 91100441
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
3-methyl-3-propylhexan-2-ol
CID 20501676

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene?
The IUPAC name of (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene (CID 167169464) is (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene.
What is the SMILES notation for (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene?
The canonical SMILES for (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene is CC/C=C(\C(C)CC(C)(C)C(C)(C)CCC)C(C)C(F)F.
What is the InChIKey of (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene?
The InChIKey is HSBKAORHBFYDFF-LFIBNONCSA-N. The full InChI is InChI=1S/C19H36F2/c1-9-11-16(15(4)17(20)21)14(3)13-19(7,8)18(5,6)12-10-2/h11,14-15,17H,9-10,12-13H2,1-8H3/b16-11+.
What are the key properties of (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene?
(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene has a molecular weight of 302.49 g/mol, XLogP of 7.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene is sourced from PubChem (CID 167169464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).