4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol

C20H36O — CID 135061615

IUPAC4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol
SMILESCCCCCCCCC#CC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H36O/c1-5-6-7-8-9-10-11-12-15-20(21)16-13-18(14-17-20)19(2,3)4/h18,21H,5-11,13-14,16-17H2,1-4H3
InChIKeyBVHSGMHHSGNUCF-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.71
Rot. Bonds6

About 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol

4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol (PubChem CID 135061615) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol
PubChem CID135061615
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol
SMILESCCCCCCCCC#CC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H36O/c1-5-6-7-8-9-10-11-12-15-20(21)16-13-18(14-17-20)19(2,3)4/h18,21H,5-11,13-14,16-17H2,1-4H3
InChIKeyBVHSGMHHSGNUCF-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol
CID 94841
4-tert-Butyl-1-methylcyclohexan-1-ol
CID 244766
4-Tert-butyl-1-(fluoromethyl)cyclohexan-1-ol
CID 11321411
Cyclohexanol, 1-butyl-4-(1,1-dimethylethyl)-
CID 593228
4-(1,1-Dimethylethyl)-1-ethylcyclohexanol
CID 12709682
1-Ethynyl-4-(4-pentylcyclohexyl)cyclohexan-1-ol
CID 89060737
4-Tert-butyl-1-propylcyclohexan-1-ol
CID 12594034
trans-4-tert-Butyl-1-methylcyclohexanol hemihydrate
CID 139072150
4-Tert-butyl-1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol
CID 15695905
4-Tert-butyl-1-(3-hydroxydodec-1-ynyl)cyclohexan-1-ol
CID 15695906
4-Tert-butyl-1-propan-2-ylcyclohexan-1-ol
CID 13544136
4-Ethynyl-4'-propylbicyclohexyl-4-ol
CID 18364504

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol (CID 135061615) is 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol is CCCCCCCCC#CC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol?
The InChIKey is BVHSGMHHSGNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-5-6-7-8-9-10-11-12-15-20(21)16-13-18(14-17-20)19(2,3)4/h18,21H,5-11,13-14,16-17H2,1-4H3.
What are the key properties of 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol?
4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol has a molecular weight of 292.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-dec-1-ynylcyclohexan-1-ol is sourced from PubChem (CID 135061615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).