1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane

C14H29P — CID 155301887

IUPAC1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane
SMILESCCC(CCC(C)C)C1CCC(C)P1C
InChIInChI=1S/C14H29P/c1-6-13(9-7-11(2)3)14-10-8-12(4)15(14)5/h11-14H,6-10H2,1-5H3
InChIKeyINHZAAGQBLMNML-UHFFFAOYSA-N
MW228.36 g/mol
LogP5.11
Rot. Bonds5

About 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane

1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane (PubChem CID 155301887) has the molecular formula C14H29P and a molecular weight of 228.36 g/mol. Its IUPAC name is 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane.

Molecular Properties

Compound Name1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane
PubChem CID155301887
Molecular FormulaC14H29P
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Name1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane
SMILESCCC(CCC(C)C)C1CCC(C)P1C
InChIInChI=1S/C14H29P/c1-6-13(9-7-11(2)3)14-10-8-12(4)15(14)5/h11-14H,6-10H2,1-5H3
InChIKeyINHZAAGQBLMNML-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane?
The IUPAC name of 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane (CID 155301887) is 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane.
What is the SMILES notation for 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane?
The canonical SMILES for 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane is CCC(CCC(C)C)C1CCC(C)P1C.
What is the InChIKey of 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane?
The InChIKey is INHZAAGQBLMNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29P/c1-6-13(9-7-11(2)3)14-10-8-12(4)15(14)5/h11-14H,6-10H2,1-5H3.
What are the key properties of 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane?
1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane has a molecular weight of 228.36 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane is sourced from PubChem (CID 155301887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).