(2-methyl-3-propan-2-ylheptan-4-yl)phosphane

C11H25P — CID 170221608

IUPAC(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
SMILESCCCC(P)C(C(C)C)C(C)C
InChIInChI=1S/C11H25P/c1-6-7-10(12)11(8(2)3)9(4)5/h8-11H,6-7,12H2,1-5H3
InChIKeyJHXVACGMYNALLG-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.96
Rot. Bonds5

About (2-methyl-3-propan-2-ylheptan-4-yl)phosphane

(2-methyl-3-propan-2-ylheptan-4-yl)phosphane (PubChem CID 170221608) has the molecular formula C11H25P and a molecular weight of 188.29 g/mol. Its IUPAC name is (2-methyl-3-propan-2-ylheptan-4-yl)phosphane.

Molecular Properties

Compound Name(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
PubChem CID170221608
Molecular FormulaC11H25P
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
SMILESCCCC(P)C(C(C)C)C(C)C
InChIInChI=1S/C11H25P/c1-6-7-10(12)11(8(2)3)9(4)5/h8-11H,6-7,12H2,1-5H3
InChIKeyJHXVACGMYNALLG-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.96
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

2-methylhexan-3-ylphosphane;dihydrochloride
CID 88799902
3-methylheptan-4-ylphosphane
CID 178108210
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
pentan-2-ylphosphane
CID 22981481
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
4-methylheptane;propane
CID 142171269
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
ethane;3-propylhexan-2-ylphosphane
CID 145493005
acetylene;4-methylheptane
CID 143164229

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-ylheptan-4-yl)phosphane?
The IUPAC name of (2-methyl-3-propan-2-ylheptan-4-yl)phosphane (CID 170221608) is (2-methyl-3-propan-2-ylheptan-4-yl)phosphane.
What is the SMILES notation for (2-methyl-3-propan-2-ylheptan-4-yl)phosphane?
The canonical SMILES for (2-methyl-3-propan-2-ylheptan-4-yl)phosphane is CCCC(P)C(C(C)C)C(C)C.
What is the InChIKey of (2-methyl-3-propan-2-ylheptan-4-yl)phosphane?
The InChIKey is JHXVACGMYNALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25P/c1-6-7-10(12)11(8(2)3)9(4)5/h8-11H,6-7,12H2,1-5H3.
What are the key properties of (2-methyl-3-propan-2-ylheptan-4-yl)phosphane?
(2-methyl-3-propan-2-ylheptan-4-yl)phosphane has a molecular weight of 188.29 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-propan-2-ylheptan-4-yl)phosphane is sourced from PubChem (CID 170221608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).