3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol

C15H26O2 — CID 142626294

IUPAC3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol
SMILESCOC1=CCC(C)(C(C)(C)C)C=C1CCCO
InChIInChI=1S/C15H26O2/c1-14(2,3)15(4)9-8-13(17-5)12(11-15)7-6-10-16/h8,11,16H,6-7,9-10H2,1-5H3
InChIKeyFSXMNKSDEPZYQF-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.67
Rot. Bonds4

About 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol

3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol (PubChem CID 142626294) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol
PubChem CID142626294
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol
SMILESCOC1=CCC(C)(C(C)(C)C)C=C1CCCO
InChIInChI=1S/C15H26O2/c1-14(2,3)15(4)9-8-13(17-5)12(11-15)7-6-10-16/h8,11,16H,6-7,9-10H2,1-5H3
InChIKeyFSXMNKSDEPZYQF-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol?
The IUPAC name of 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol (CID 142626294) is 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol is COC1=CCC(C)(C(C)(C)C)C=C1CCCO.
What is the InChIKey of 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol?
The InChIKey is FSXMNKSDEPZYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2,3)15(4)9-8-13(17-5)12(11-15)7-6-10-16/h8,11,16H,6-7,9-10H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol?
3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol is sourced from PubChem (CID 142626294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).