5-but-1-en-2-yl-2-methylcyclohexan-1-ol

C11H20O — CID 176942654

IUPAC5-but-1-en-2-yl-2-methylcyclohexan-1-ol
SMILESC=C(CC)C1CCC(C)C(O)C1
InChIInChI=1S/C11H20O/c1-4-8(2)10-6-5-9(3)11(12)7-10/h9-12H,2,4-7H2,1,3H3
InChIKeyUNTXXKSAVKFDLR-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds2

About 5-but-1-en-2-yl-2-methylcyclohexan-1-ol

5-but-1-en-2-yl-2-methylcyclohexan-1-ol (PubChem CID 176942654) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-but-1-en-2-yl-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5-but-1-en-2-yl-2-methylcyclohexan-1-ol
PubChem CID176942654
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-but-1-en-2-yl-2-methylcyclohexan-1-ol
SMILESC=C(CC)C1CCC(C)C(O)C1
InChIInChI=1S/C11H20O/c1-4-8(2)10-6-5-9(3)11(12)7-10/h9-12H,2,4-7H2,1,3H3
InChIKeyUNTXXKSAVKFDLR-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
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

(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129
2-but-1-en-2-yl-5-methylcyclohexan-1-ol
CID 85263712
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
4-but-1-en-2-yl-2-methylthiolane
CID 134557509
(5R)-3-but-1-en-2-yl-5-methylpiperidine
CID 170450010
trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol
CID 59055193
5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol
CID 140519074

Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-2-methylcyclohexan-1-ol?
The IUPAC name of 5-but-1-en-2-yl-2-methylcyclohexan-1-ol (CID 176942654) is 5-but-1-en-2-yl-2-methylcyclohexan-1-ol.
What is the SMILES notation for 5-but-1-en-2-yl-2-methylcyclohexan-1-ol?
The canonical SMILES for 5-but-1-en-2-yl-2-methylcyclohexan-1-ol is C=C(CC)C1CCC(C)C(O)C1.
What is the InChIKey of 5-but-1-en-2-yl-2-methylcyclohexan-1-ol?
The InChIKey is UNTXXKSAVKFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-8(2)10-6-5-9(3)11(12)7-10/h9-12H,2,4-7H2,1,3H3.
What are the key properties of 5-but-1-en-2-yl-2-methylcyclohexan-1-ol?
5-but-1-en-2-yl-2-methylcyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-2-methylcyclohexan-1-ol is sourced from PubChem (CID 176942654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).