1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane

C15H31P — CID 170039648

IUPAC1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane
SMILESCCCC1C(C(C)CCCC(C)C)CP1C
InChIInChI=1S/C15H31P/c1-6-8-15-14(11-16(15)5)13(4)10-7-9-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyHGFBJBLKAZTXLP-UHFFFAOYSA-N
MW242.39 g/mol
LogP5.36
Rot. Bonds7

About 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane

1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane (PubChem CID 170039648) has the molecular formula C15H31P and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane.

Molecular Properties

Compound Name1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane
PubChem CID170039648
Molecular FormulaC15H31P
Molecular Weight242.39 g/mol
Exact Mass242.22
IUPAC Name1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane
SMILESCCCC1C(C(C)CCCC(C)C)CP1C
InChIInChI=1S/C15H31P/c1-6-8-15-14(11-16(15)5)13(4)10-7-9-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyHGFBJBLKAZTXLP-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
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

1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699
1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
CID 123616898
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
trans-(1S,2R)-1-(2-propoxyethyl)-2-[(7R,11R)-3,7,11,15-tetramethylhexadecyl]cyclopropane
CID 70946686
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
1,2-di(pentan-2-yl)cyclopropane
CID 123763474

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane?
The IUPAC name of 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane (CID 170039648) is 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane.
What is the SMILES notation for 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane?
The canonical SMILES for 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane is CCCC1C(C(C)CCCC(C)C)CP1C.
What is the InChIKey of 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane?
The InChIKey is HGFBJBLKAZTXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31P/c1-6-8-15-14(11-16(15)5)13(4)10-7-9-12(2)3/h12-15H,6-11H2,1-5H3.
What are the key properties of 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane?
1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane has a molecular weight of 242.39 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 1-methyl-3-(6-methylheptan-2-yl)-2-propylphosphetane is sourced from PubChem (CID 170039648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).