(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene

C19H38O2 — CID 6450378

IUPAC(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
SMILESCC[C@@H](C)CCCC/C=C/CCCCCCC(OC)OC
InChIInChI=1S/C19H38O2/c1-5-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20-3)21-4/h6,8,18-19H,5,7,9-17H2,1-4H3/b8-6+/t18-/m1/s1
InChIKeyCBKICWXFWKPHNL-JHTBKMLMSA-N
MW298.51 g/mol
LogP6.11
Rot. Bonds15

About (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene

(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene (PubChem CID 6450378) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene.

Molecular Properties

Compound Name(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
PubChem CID6450378
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
SMILESCC[C@@H](C)CCCC/C=C/CCCCCCC(OC)OC
InChIInChI=1S/C19H38O2/c1-5-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20-3)21-4/h6,8,18-19H,5,7,9-17H2,1-4H3/b8-6+/t18-/m1/s1
InChIKeyCBKICWXFWKPHNL-JHTBKMLMSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(E)-14-methylhexadec-8-enal
CID 6073809
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(Z)-16-methyloctadec-10-en-2-amine
CID 170891715
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
(Z)-12-methyltetradec-3-enenitrile
CID 139591509

Frequently Asked Questions

What is the IUPAC name of (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene?
The IUPAC name of (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene (CID 6450378) is (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene.
What is the SMILES notation for (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene?
The canonical SMILES for (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene is CC[C@@H](C)CCCC/C=C/CCCCCCC(OC)OC.
What is the InChIKey of (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene?
The InChIKey is CBKICWXFWKPHNL-JHTBKMLMSA-N. The full InChI is InChI=1S/C19H38O2/c1-5-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20-3)21-4/h6,8,18-19H,5,7,9-17H2,1-4H3/b8-6+/t18-/m1/s1.
What are the key properties of (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene?
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene has a molecular weight of 298.51 g/mol, XLogP of 6.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene is sourced from PubChem (CID 6450378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).