(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride

C12H19ClO — CID 10910907

IUPAC(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride
SMILESCC(C)=C[C@@H](C)C[C@@H](C)/C=C/C(=O)Cl
InChIInChI=1S/C12H19ClO/c1-9(2)7-11(4)8-10(3)5-6-12(13)14/h5-7,10-11H,8H2,1-4H3/b6-5+/t10-,11+/m0/s1
InChIKeySTQBHVBXBOJQPG-PFDYWKIBSA-N
MW214.74 g/mol
LogP3.94
Rot. Bonds5

About (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride

(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride (PubChem CID 10910907) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride.

Molecular Properties

Compound Name(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride
PubChem CID10910907
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Name(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride
SMILESCC(C)=C[C@@H](C)C[C@@H](C)/C=C/C(=O)Cl
InChIInChI=1S/C12H19ClO/c1-9(2)7-11(4)8-10(3)5-6-12(13)14/h5-7,10-11H,8H2,1-4H3/b6-5+/t10-,11+/m0/s1
InChIKeySTQBHVBXBOJQPG-PFDYWKIBSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethylhept-2-ene
CID 558039
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
8-chloro-2,4,6-trimethylnon-2-ene
CID 86260523
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(8Z)-2,4,6-trimethyl-7-methylidenedeca-2,8-diene
CID 177061133
(Z)-4-ethoxy-4-hydroxybut-2-enoyl chloride
CID 143750483
4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal
CID 166734043
(2E)-7-methylocta-2,6-dienoyl chloride
CID 14192462
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
4,6-dimethyl-2-methylidenehept-5-enal
CID 122553297
4-chloro-2-methylpent-2-ene
CID 12535659

Frequently Asked Questions

What is the IUPAC name of (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride?
The IUPAC name of (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride (CID 10910907) is (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride.
What is the SMILES notation for (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride?
The canonical SMILES for (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride is CC(C)=C[C@@H](C)C[C@@H](C)/C=C/C(=O)Cl.
What is the InChIKey of (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride?
The InChIKey is STQBHVBXBOJQPG-PFDYWKIBSA-N. The full InChI is InChI=1S/C12H19ClO/c1-9(2)7-11(4)8-10(3)5-6-12(13)14/h5-7,10-11H,8H2,1-4H3/b6-5+/t10-,11+/m0/s1.
What are the key properties of (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride?
(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride has a molecular weight of 214.74 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride is sourced from PubChem (CID 10910907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).