2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane

C30H50OS — CID 70456287

IUPAC2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane
SMILESc1ccc(CC(SCCCCCCCCCCCCCCCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C30H50OS/c1(2-4-6-8-10-15-20-29-21-17-24-31-29)3-5-7-9-11-16-25-32-30(28-22-23-28)26-27-18-13-12-14-19-27/h12-14,18-19,28-30H,1-11,15-17,20-26H2
InChIKeyUOWXHPNRUJZATM-UHFFFAOYSA-N
MW458.80 g/mol
LogP9.38
Rot. Bonds20

About 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane

2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane (PubChem CID 70456287) has the molecular formula C30H50OS and a molecular weight of 458.80 g/mol. Its IUPAC name is 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane.

Molecular Properties

Compound Name2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane
PubChem CID70456287
Molecular FormulaC30H50OS
Molecular Weight458.80 g/mol
Exact Mass458.36
IUPAC Name2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane
SMILESc1ccc(CC(SCCCCCCCCCCCCCCCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C30H50OS/c1(2-4-6-8-10-15-20-29-21-17-24-31-29)3-5-7-9-11-16-25-32-30(28-22-23-28)26-27-18-13-12-14-19-27/h12-14,18-19,28-30H,1-11,15-17,20-26H2
InChIKeyUOWXHPNRUJZATM-UHFFFAOYSA-N
XLogP9.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.80
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 20531619
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
2-[12-[11-(oxolan-2-yl)-12-phenyldodecyl]sulfanyl-1-phenyldodecan-2-yl]oxolane
CID 70456874
2-[16-[15-(oxan-2-yl)-16-phenylhexadecyl]sulfanyl-1-phenylhexadecan-2-yl]oxane
CID 70457107
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
2-tetradecyloxolane
CID 10683364
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
2-benzyloxepane
CID 14272917

Frequently Asked Questions

What is the IUPAC name of 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane?
The IUPAC name of 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane (CID 70456287) is 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane.
What is the SMILES notation for 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane?
The canonical SMILES for 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane is c1ccc(CC(SCCCCCCCCCCCCCCCC2CCCO2)C2CC2)cc1.
What is the InChIKey of 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane?
The InChIKey is UOWXHPNRUJZATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50OS/c1(2-4-6-8-10-15-20-29-21-17-24-31-29)3-5-7-9-11-16-25-32-30(28-22-23-28)26-27-18-13-12-14-19-27/h12-14,18-19,28-30H,1-11,15-17,20-26H2.
What are the key properties of 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane?
2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane has a molecular weight of 458.80 g/mol, XLogP of 9.38, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[15-(1-cyclopropyl-2-phenylethyl)sulfanylpentadecyl]oxolane is sourced from PubChem (CID 70456287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).