(1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane

C18H34Sn — CID 173323579

IUPAC(1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane
SMILESCCCCC1=C(CCCC)C([SnH])(CCCC)CCC1
InChIInChI=1S/C18H33.Sn.H/c1-4-7-11-16-13-10-14-17(12-8-5-2)18(16)15-9-6-3;;/h4-15H2,1-3H3;;
InChIKeyZIFXYFUWNFPGPN-UHFFFAOYSA-N
MW369.18 g/mol
LogP6.10
Rot. Bonds9

About (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane

(1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane (PubChem CID 173323579) has the molecular formula C18H34Sn and a molecular weight of 369.18 g/mol. Its IUPAC name is (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane.

Molecular Properties

Compound Name(1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane
PubChem CID173323579
Molecular FormulaC18H34Sn
Molecular Weight369.18 g/mol
Exact Mass370.17
IUPAC Name(1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane
SMILESCCCCC1=C(CCCC)C([SnH])(CCCC)CCC1
InChIInChI=1S/C18H33.Sn.H/c1-4-7-11-16-13-10-14-17(12-8-5-2)18(16)15-9-6-3;;/h4-15H2,1-3H3;;
InChIKeyZIFXYFUWNFPGPN-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.18
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
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6,6-dibutyloxan-2-one
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(3S)-3-butyl-3-[(E)-prop-1-enyl]cyclohexan-1-one
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[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
1-butyl-2-hexylcyclopropene
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CID 173069670

Frequently Asked Questions

What is the IUPAC name of (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane?
The IUPAC name of (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane (CID 173323579) is (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane.
What is the SMILES notation for (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane?
The canonical SMILES for (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane is CCCCC1=C(CCCC)C([SnH])(CCCC)CCC1.
What is the InChIKey of (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane?
The InChIKey is ZIFXYFUWNFPGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33.Sn.H/c1-4-7-11-16-13-10-14-17(12-8-5-2)18(16)15-9-6-3;;/h4-15H2,1-3H3;;.
What are the key properties of (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane?
(1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane has a molecular weight of 369.18 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3-tributylcyclohex-2-en-1-yl)-λ2-stannane is sourced from PubChem (CID 173323579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).