3-methylhexan-3-yl(propyl)phosphane

C10H23P — CID 146493559

IUPAC3-methylhexan-3-yl(propyl)phosphane
SMILESCCCPC(C)(CC)CCC
InChIInChI=1S/C10H23P/c1-5-8-10(4,7-3)11-9-6-2/h11H,5-9H2,1-4H3
InChIKeyUJELPTPGZVRSOC-UHFFFAOYSA-N
MW174.27 g/mol
LogP4.04
Rot. Bonds6

About 3-methylhexan-3-yl(propyl)phosphane

3-methylhexan-3-yl(propyl)phosphane (PubChem CID 146493559) has the molecular formula C10H23P and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-methylhexan-3-yl(propyl)phosphane.

Molecular Properties

Compound Name3-methylhexan-3-yl(propyl)phosphane
PubChem CID146493559
Molecular FormulaC10H23P
Molecular Weight174.27 g/mol
Exact Mass174.15
IUPAC Name3-methylhexan-3-yl(propyl)phosphane
SMILESCCCPC(C)(CC)CCC
InChIInChI=1S/C10H23P/c1-5-8-10(4,7-3)11-9-6-2/h11H,5-9H2,1-4H3
InChIKeyUJELPTPGZVRSOC-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 54.04
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

propyl(trifluoromethyl)phosphane
CID 21096795
3,3-dimethylhexane
CID 11233
3-methylheptan-3-yl(2,4,4-trimethylpentyl)phosphane
CID 87632108
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
CID 123373948
CID 123373948
3-bromo-3-methylhexane
CID 19851237
bis(2,2-dimethylpentane);methane
CID 159859974
1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
ethane;3-ethyl-2,2,3-trimethylhexane;methane
CID 143664746
3,3,4-trimethylheptan-4-amine
CID 139427507
(2S)-2-ethyl-2-methylpentanoate
CID 86306121

Frequently Asked Questions

What is the IUPAC name of 3-methylhexan-3-yl(propyl)phosphane?
The IUPAC name of 3-methylhexan-3-yl(propyl)phosphane (CID 146493559) is 3-methylhexan-3-yl(propyl)phosphane.
What is the SMILES notation for 3-methylhexan-3-yl(propyl)phosphane?
The canonical SMILES for 3-methylhexan-3-yl(propyl)phosphane is CCCPC(C)(CC)CCC.
What is the InChIKey of 3-methylhexan-3-yl(propyl)phosphane?
The InChIKey is UJELPTPGZVRSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23P/c1-5-8-10(4,7-3)11-9-6-2/h11H,5-9H2,1-4H3.
What are the key properties of 3-methylhexan-3-yl(propyl)phosphane?
3-methylhexan-3-yl(propyl)phosphane has a molecular weight of 174.27 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexan-3-yl(propyl)phosphane is sourced from PubChem (CID 146493559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).