4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol

C15H24O — CID 13449443

IUPAC4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#CC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H24O/c1-14(2,3)13-8-6-12(7-9-13)10-11-15(4,5)16/h6,13,16H,7-9H2,1-5H3
InChIKeyIKRRVXTUWALJNV-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol

4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol (PubChem CID 13449443) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol
PubChem CID13449443
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#CC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H24O/c1-14(2,3)13-8-6-12(7-9-13)10-11-15(4,5)16/h6,13,16H,7-9H2,1-5H3
InChIKeyIKRRVXTUWALJNV-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dehydro-alpha-ionone
CID 129847908
5-(4-Tert-butylcyclohexen-1-yl)pent-4-yn-1-ol
CID 11106910
(3R)-1-(4-tert-butylcyclohexen-1-yl)-3-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135064806
2-methyl-4-[(1S)-2-methylcyclohex-2-en-1-yl]but-3-yn-2-ol
CID 166438421
2-(1,4,6-Trimethylcyclohex-3-en-1-yl)propan-2-ol
CID 20163295
(E)-3-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-4-yn-3-ol
CID 21035920
3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 22630197
(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol
CID 22759678
2-(2,4,4,5-Tetramethylcyclohex-2-en-1-yl)but-3-yn-2-ol
CID 23350221
2-(2,4,4-Trimethylcyclohex-2-en-1-yl)but-3-yn-2-ol
CID 23350222
5-(1,4-Dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol
CID 54147617
(6R)-6-[(4aR,8aS)-8a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]-2-methylhept-3-yn-2-ol
CID 57226757

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol (CID 13449443) is 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol is CC(C)(O)C#CC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is IKRRVXTUWALJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2,3)13-8-6-12(7-9-13)10-11-15(4,5)16/h6,13,16H,7-9H2,1-5H3.
What are the key properties of 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol?
4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 13449443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).