(3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol

C17H24O — CID 142145930

IUPAC(3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol
SMILESC=C(C)[C@@H](O)[C@@H](C)C1(c2ccc(C)cc2)CCC1
InChIInChI=1S/C17H24O/c1-12(2)16(18)14(4)17(10-5-11-17)15-8-6-13(3)7-9-15/h6-9,14,16,18H,1,5,10-11H2,2-4H3/t14-,16-/m1/s1
InChIKeyDPLQTLRGTPHQJW-GDBMZVCRSA-N
MW244.38 g/mol
LogP3.99
Rot. Bonds4

About (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol

(3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol (PubChem CID 142145930) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol
PubChem CID142145930
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol
SMILESC=C(C)[C@@H](O)[C@@H](C)C1(c2ccc(C)cc2)CCC1
InChIInChI=1S/C17H24O/c1-12(2)16(18)14(4)17(10-5-11-17)15-8-6-13(3)7-9-15/h6-9,14,16,18H,1,5,10-11H2,2-4H3/t14-,16-/m1/s1
InChIKeyDPLQTLRGTPHQJW-GDBMZVCRSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol?
The IUPAC name of (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol (CID 142145930) is (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol.
What is the SMILES notation for (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol?
The canonical SMILES for (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol is C=C(C)[C@@H](O)[C@@H](C)C1(c2ccc(C)cc2)CCC1.
What is the InChIKey of (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol?
The InChIKey is DPLQTLRGTPHQJW-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24O/c1-12(2)16(18)14(4)17(10-5-11-17)15-8-6-13(3)7-9-15/h6-9,14,16,18H,1,5,10-11H2,2-4H3/t14-,16-/m1/s1.
What are the key properties of (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol?
(3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol has a molecular weight of 244.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-methyl-4-[1-(4-methylphenyl)cyclobutyl]pent-1-en-3-ol is sourced from PubChem (CID 142145930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).