2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol

C14H26OS — CID 123971964

IUPAC2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol
SMILESCCC=C(C)C(O)C1(S2(C)CCCC2)CC1
InChIInChI=1S/C14H26OS/c1-4-7-12(2)13(15)14(8-9-14)16(3)10-5-6-11-16/h7,13,15H,4-6,8-11H2,1-3H3
InChIKeyYHFZTUQGLKBZSV-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.46
Rot. Bonds4

About 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol

2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol (PubChem CID 123971964) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol
PubChem CID123971964
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol
SMILESCCC=C(C)C(O)C1(S2(C)CCCC2)CC1
InChIInChI=1S/C14H26OS/c1-4-7-12(2)13(15)14(8-9-14)16(3)10-5-6-11-16/h7,13,15H,4-6,8-11H2,1-3H3
InChIKeyYHFZTUQGLKBZSV-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
CID 134896261
(4E)-4-ethenyl-2-methyl-2-(thiolan-1-ium-1-yl)hepta-4,6-dien-3-ol
CID 58205897
5,5-Dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-ol
CID 58718092
5,5-Dimethyl-3-[(1-methylthiolan-1-yl)methyl]cyclohex-2-en-1-ol
CID 123301958
4-Methyl-1-(3-methylhexan-3-ylsulfanyl)hex-4-en-3-ol
CID 137545736
1-(5,5-dimethyl-2H-thiophen-4-yl)propan-1-ol
CID 12760966
5-Methyl-3-(2-methylprop-1-enyl)thiolan-3-ol
CID 79949343
2-Methyl-7-methylsulfanylhept-2-en-4-ol
CID 103089941
(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol
CID 103971437
3-Methyl-1-(thiolan-2-yl)but-2-en-1-ol
CID 105110179
4-Methyl-1-(thian-4-yl)pent-3-en-2-ol
CID 105110182
3-Methyl-1-(thiolan-3-yl)but-2-en-1-ol
CID 105110313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol?
The IUPAC name of 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol (CID 123971964) is 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol?
The canonical SMILES for 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol is CCC=C(C)C(O)C1(S2(C)CCCC2)CC1.
What is the InChIKey of 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol?
The InChIKey is YHFZTUQGLKBZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-4-7-12(2)13(15)14(8-9-14)16(3)10-5-6-11-16/h7,13,15H,4-6,8-11H2,1-3H3.
What are the key properties of 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol?
2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol is sourced from PubChem (CID 123971964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).