(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane

C11H23P — CID 118536191

IUPAC(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane
SMILESCCC=CC(P)(C(C)C)C(C)C
InChIInChI=1S/C11H23P/c1-6-7-8-11(12,9(2)3)10(4)5/h7-10H,6,12H2,1-5H3
InChIKeyMQTJFTPPDJMBFZ-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.88
Rot. Bonds4

About (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane

(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane (PubChem CID 118536191) has the molecular formula C11H23P and a molecular weight of 186.28 g/mol. Its IUPAC name is (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane.

Molecular Properties

Compound Name(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane
PubChem CID118536191
Molecular FormulaC11H23P
Molecular Weight186.28 g/mol
Exact Mass186.15
IUPAC Name(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane
SMILESCCC=CC(P)(C(C)C)C(C)C
InChIInChI=1S/C11H23P/c1-6-7-8-11(12,9(2)3)10(4)5/h7-10H,6,12H2,1-5H3
InChIKeyMQTJFTPPDJMBFZ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane?
The IUPAC name of (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane (CID 118536191) is (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane.
What is the SMILES notation for (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane?
The canonical SMILES for (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane is CCC=CC(P)(C(C)C)C(C)C.
What is the InChIKey of (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane?
The InChIKey is MQTJFTPPDJMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23P/c1-6-7-8-11(12,9(2)3)10(4)5/h7-10H,6,12H2,1-5H3.
What are the key properties of (2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane?
(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane has a molecular weight of 186.28 g/mol, XLogP of 3.88, 4 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-ylhept-4-en-3-yl)phosphane is sourced from PubChem (CID 118536191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).