CID 173085065

C7H13As — CID 173085065

IUPAC—
SMILESCCCCC/C=C/[As]
InChIInChI=1S/C7H13As/c1-2-3-4-5-6-7-8/h6-7H,2-5H2,1H3/b7-6+
InChIKeyPCLZLLXMHCTPPC-VOTSOKGWSA-N
MW172.10 g/mol
LogP2.25
Rot. Bonds4

About CID 173085065

CID 173085065 (PubChem CID 173085065) has the molecular formula C7H13As and a molecular weight of 172.10 g/mol.

Molecular Properties

Compound NameCID 173085065
PubChem CID173085065
Molecular FormulaC7H13As
Molecular Weight172.10 g/mol
Exact Mass172.02
IUPAC Name—
SMILESCCCCC/C=C/[As]
InChIInChI=1S/C7H13As/c1-2-3-4-5-6-7-8/h6-7H,2-5H2,1H3/b7-6+
InChIKeyPCLZLLXMHCTPPC-VOTSOKGWSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173084532
CID 173084532
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of CID 173085065?
The IUPAC name of CID 173085065 (CID 173085065) is not available.
What is the SMILES notation for CID 173085065?
The canonical SMILES for CID 173085065 is CCCCC/C=C/[As].
What is the InChIKey of CID 173085065?
The InChIKey is PCLZLLXMHCTPPC-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13As/c1-2-3-4-5-6-7-8/h6-7H,2-5H2,1H3/b7-6+.
What are the key properties of CID 173085065?
CID 173085065 has a molecular weight of 172.10 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173085065 is sourced from PubChem (CID 173085065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).