(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol

C15H28O — CID 162868044

IUPAC(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol
SMILESCC1=C[C@H](O)CC(C)(C)[C@]1(C)CCC(C)C
InChIInChI=1S/C15H28O/c1-11(2)7-8-15(6)12(3)9-13(16)10-14(15,4)5/h9,11,13,16H,7-8,10H2,1-6H3/t13-,15+/m0/s1
InChIKeyRUUSVNHREYRUJC-DZGCQCFKSA-N
MW224.39 g/mol
LogP4.17
Rot. Bonds3

About (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol

(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol (PubChem CID 162868044) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol
PubChem CID162868044
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol
SMILESCC1=C[C@H](O)CC(C)(C)[C@]1(C)CCC(C)C
InChIInChI=1S/C15H28O/c1-11(2)7-8-15(6)12(3)9-13(16)10-14(15,4)5/h9,11,13,16H,7-8,10H2,1-6H3/t13-,15+/m0/s1
InChIKeyRUUSVNHREYRUJC-DZGCQCFKSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.17
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 (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol (CID 162868044) is (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol is CC1=C[C@H](O)CC(C)(C)[C@]1(C)CCC(C)C.
What is the InChIKey of (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol?
The InChIKey is RUUSVNHREYRUJC-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H28O/c1-11(2)7-8-15(6)12(3)9-13(16)10-14(15,4)5/h9,11,13,16H,7-8,10H2,1-6H3/t13-,15+/m0/s1.
What are the key properties of (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol?
(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 162868044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).