methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane

C14H31P — CID 174320605

IUPACmethyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane
SMILESCCCC(C)C(C)P(C)C(C)C(C)CC
InChIInChI=1S/C14H31P/c1-8-10-12(4)14(6)15(7)13(5)11(3)9-2/h11-14H,8-10H2,1-7H3
InChIKeyCXVZDXVKJATUCF-UHFFFAOYSA-N
MW230.38 g/mol
LogP5.36
Rot. Bonds7

About methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane

methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane (PubChem CID 174320605) has the molecular formula C14H31P and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane.

Molecular Properties

Compound Namemethyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane
PubChem CID174320605
Molecular FormulaC14H31P
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Namemethyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane
SMILESCCCC(C)C(C)P(C)C(C)C(C)CC
InChIInChI=1S/C14H31P/c1-8-10-12(4)14(6)15(7)13(5)11(3)9-2/h11-14H,8-10H2,1-7H3
InChIKeyCXVZDXVKJATUCF-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,4-dimethylheptane
CID 59819300
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
(4R)-4-methylheptan-3-ol
CID 12799251
3-methylheptan-4-ylphosphane
CID 178108210
CID 91524756
CID 91524756
4-chloro-3-methylheptane
CID 54215050
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
4,5-diethyloctane
CID 519254
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
methyl-di(octan-4-yl)phosphane
CID 22497740
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane?
The IUPAC name of methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane (CID 174320605) is methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane.
What is the SMILES notation for methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane?
The canonical SMILES for methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane is CCCC(C)C(C)P(C)C(C)C(C)CC.
What is the InChIKey of methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane?
The InChIKey is CXVZDXVKJATUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P/c1-8-10-12(4)14(6)15(7)13(5)11(3)9-2/h11-14H,8-10H2,1-7H3.
What are the key properties of methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane?
methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane has a molecular weight of 230.38 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane is sourced from PubChem (CID 174320605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).