2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane

C13H27P — CID 158867140

IUPAC2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane
SMILESCC=CCC(C)(C)P(C(C)C)C(C)C
InChIInChI=1S/C13H27P/c1-8-9-10-13(6,7)14(11(2)3)12(4)5/h8-9,11-12H,10H2,1-7H3
InChIKeyJBJNTCVLTSFXTQ-UHFFFAOYSA-N
MW214.33 g/mol
LogP5.03
Rot. Bonds5

About 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane

2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane (PubChem CID 158867140) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane
PubChem CID158867140
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane
SMILESCC=CCC(C)(C)P(C(C)C)C(C)C
InChIInChI=1S/C13H27P/c1-8-9-10-13(6,7)14(11(2)3)12(4)5/h8-9,11-12H,10H2,1-7H3
InChIKeyJBJNTCVLTSFXTQ-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-6,6,7-trimethyloct-2-ene
CID 123620365
(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
CID 130514852
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
2-di(propan-2-yl)phosphanylpropan-2-yl-di(propan-2-yl)phosphane
CID 89346513
(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene
CID 170070049
2-methylhex-4-en-2-yloxysilane
CID 175079784
6,7-dimethyloct-2-ene
CID 54205493
7,7,8-trimethylnon-2-ene
CID 54129558
5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849
3,3-dimethylhept-5-enoic acid
CID 91004429
2-ethyl-2-methylhex-4-enoic acid
CID 123449987
tetrakis(pent-3-enyl)phosphanium
CID 154314281

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane?
The IUPAC name of 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane (CID 158867140) is 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane.
What is the SMILES notation for 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane?
The canonical SMILES for 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane is CC=CCC(C)(C)P(C(C)C)C(C)C.
What is the InChIKey of 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane?
The InChIKey is JBJNTCVLTSFXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P/c1-8-9-10-13(6,7)14(11(2)3)12(4)5/h8-9,11-12H,10H2,1-7H3.
What are the key properties of 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane?
2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane has a molecular weight of 214.33 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-4-en-2-yl-di(propan-2-yl)phosphane is sourced from PubChem (CID 158867140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).