(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid

C11H25O3P — CID 174818285

IUPAC(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid
SMILESCCCCC(C(C)C)(C(C)C)P(=O)(O)O
InChIInChI=1S/C11H25O3P/c1-6-7-8-11(9(2)3,10(4)5)15(12,13)14/h9-10H,6-8H2,1-5H3,(H2,12,13,14)
InChIKeyQROJTHDPSAOSLQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.41
Rot. Bonds6

About (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid

(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid (PubChem CID 174818285) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid.

Molecular Properties

Compound Name(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid
PubChem CID174818285
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid
SMILESCCCCC(C(C)C)(C(C)C)P(=O)(O)O
InChIInChI=1S/C11H25O3P/c1-6-7-8-11(9(2)3,10(4)5)15(12,13)14/h9-10H,6-8H2,1-5H3,(H2,12,13,14)
InChIKeyQROJTHDPSAOSLQ-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-propylnonan-5-ylphosphonic acid
CID 19438491
5-butylnonan-5-amine;phosphoric acid
CID 88962478
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
fluorophosphonic acid;hexane;hydrobromide
CID 175894647
2-ethyl-2-phosphonohexanoic acid
CID 88688583
3-methylheptan-3-yl dihydrogen phosphate
CID 152563174
8-methylpentadecan-8-ylphosphonic acid
CID 134232288
1,1-difluorohexylphosphonic acid
CID 87256620
2-phosphonononan-2-ylphosphonic acid
CID 141214497
(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
(3-ethyl-2-methylpentan-3-yl)phosphonic acid
CID 71437145

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid?
The IUPAC name of (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid (CID 174818285) is (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid.
What is the SMILES notation for (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid?
The canonical SMILES for (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid is CCCCC(C(C)C)(C(C)C)P(=O)(O)O.
What is the InChIKey of (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid?
The InChIKey is QROJTHDPSAOSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-6-7-8-11(9(2)3,10(4)5)15(12,13)14/h9-10H,6-8H2,1-5H3,(H2,12,13,14).
What are the key properties of (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid?
(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid has a molecular weight of 236.29 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid is sourced from PubChem (CID 174818285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).