5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol

C13H22O — CID 130128613

IUPAC5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol
SMILESCC(C)(C)C1CCC2=C(CCC2O)C1
InChIInChI=1S/C13H22O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10,12,14H,4-8H2,1-3H3
InChIKeyHXODUXKVNRVDRX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.28
Rot. Bonds

About 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol

5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol (PubChem CID 130128613) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol
PubChem CID130128613
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol
SMILESCC(C)(C)C1CCC2=C(CCC2O)C1
InChIInChI=1S/C13H22O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10,12,14H,4-8H2,1-3H3
InChIKeyHXODUXKVNRVDRX-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
CID 135082030
cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
CID 12027036
5-tert-butyl-2,3,4,5,6,7-hexahydroinden-1-imine
CID 10420084
(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one
CID 10702610
(2Z)-4-tert-butyl-2-(hydroxymethylidene)cyclohexan-1-one
CID 70548170
lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
CID 135082029
4-tert-butylcyclohexan-1-one
CID 7392
2-tert-butyl-5-methyl-1,2,3,4,5,6-hexahydropentalene
CID 163602854
CID 171375076
CID 171375076
2-(4-tert-butylcyclohexylidene)propanoic acid
CID 10013355
5-tert-butyl-2-methylidenecyclohexan-1-one;ethene
CID 170948504
(1S)-1-tert-butyl-3-methylidenecyclohexane
CID 161355600

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol?
The IUPAC name of 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol (CID 130128613) is 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol.
What is the SMILES notation for 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol?
The canonical SMILES for 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol is CC(C)(C)C1CCC2=C(CCC2O)C1.
What is the InChIKey of 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol?
The InChIKey is HXODUXKVNRVDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10,12,14H,4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol?
5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol is sourced from PubChem (CID 130128613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).