1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene

C24H30OS — CID 91161613

IUPAC1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene
SMILESC1=C(CCCCSc2ccc(OCC3CCCCC3)c3ccccc23)C1
InChIInChI=1S/C24H30OS/c1-2-9-20(10-3-1)18-25-23-15-16-24(22-12-5-4-11-21(22)23)26-17-7-6-8-19-13-14-19/h4-5,11-13,15-16,20H,1-3,6-10,14,17-18H2
InChIKeyYZXRDDHJPUUDOU-UHFFFAOYSA-N
MW366.57 g/mol
LogP7.39
Rot. Bonds9

About 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene

1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene (PubChem CID 91161613) has the molecular formula C24H30OS and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene
PubChem CID91161613
Molecular FormulaC24H30OS
Molecular Weight366.57 g/mol
Exact Mass366.20
IUPAC Name1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene
SMILESC1=C(CCCCSc2ccc(OCC3CCCCC3)c3ccccc23)C1
InChIInChI=1S/C24H30OS/c1-2-9-20(10-3-1)18-25-23-15-16-24(22-12-5-4-11-21(22)23)26-17-7-6-8-19-13-14-19/h4-5,11-13,15-16,20H,1-3,6-10,14,17-18H2
InChIKeyYZXRDDHJPUUDOU-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene?
The IUPAC name of 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene (CID 91161613) is 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene.
What is the SMILES notation for 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene?
The canonical SMILES for 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene is C1=C(CCCCSc2ccc(OCC3CCCCC3)c3ccccc23)C1.
What is the InChIKey of 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene?
The InChIKey is YZXRDDHJPUUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30OS/c1-2-9-20(10-3-1)18-25-23-15-16-24(22-12-5-4-11-21(22)23)26-17-7-6-8-19-13-14-19/h4-5,11-13,15-16,20H,1-3,6-10,14,17-18H2.
What are the key properties of 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene?
1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene has a molecular weight of 366.57 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene is sourced from PubChem (CID 91161613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).