cycloocten-1-yl-(3-methyl-1-adamantyl)methanol

C20H32O — CID 106657583

IUPACcycloocten-1-yl-(3-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(C1)CC(C(O)C1=CCCCCCC1)(C3)C2
InChIInChI=1S/C20H32O/c1-19-10-15-9-16(11-19)13-20(12-15,14-19)18(21)17-7-5-3-2-4-6-8-17/h7,15-16,18,21H,2-6,8-14H2,1H3
InChIKeyLZSMFLWGPWMRFL-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.23
Rot. Bonds2

About cycloocten-1-yl-(3-methyl-1-adamantyl)methanol

cycloocten-1-yl-(3-methyl-1-adamantyl)methanol (PubChem CID 106657583) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is cycloocten-1-yl-(3-methyl-1-adamantyl)methanol.

Molecular Properties

Compound Namecycloocten-1-yl-(3-methyl-1-adamantyl)methanol
PubChem CID106657583
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Namecycloocten-1-yl-(3-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(C1)CC(C(O)C1=CCCCCCC1)(C3)C2
InChIInChI=1S/C20H32O/c1-19-10-15-9-16(11-19)13-20(12-15,14-19)18(21)17-7-5-3-2-4-6-8-17/h7,15-16,18,21H,2-6,8-14H2,1H3
InChIKeyLZSMFLWGPWMRFL-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.23
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

cycloocten-1-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005521
(3,5-dimethylphenyl)-(3-methyl-1-adamantyl)methanol
CID 114979753
furan-3-yl-(3-methyl-1-adamantyl)methanol
CID 115797378
(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
CID 114978827
2-(4-iodophenyl)-1-(3-methyl-1-adamantyl)ethanol
CID 115802762
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
CID 63506303
cyclohexen-1-ylmethanediol
CID 21392290
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
(2R)-2-chloro-2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid
CID 129418689
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(3-methyl-1-adamantyl)methanol?
The IUPAC name of cycloocten-1-yl-(3-methyl-1-adamantyl)methanol (CID 106657583) is cycloocten-1-yl-(3-methyl-1-adamantyl)methanol.
What is the SMILES notation for cycloocten-1-yl-(3-methyl-1-adamantyl)methanol?
The canonical SMILES for cycloocten-1-yl-(3-methyl-1-adamantyl)methanol is CC12CC3CC(C1)CC(C(O)C1=CCCCCCC1)(C3)C2.
What is the InChIKey of cycloocten-1-yl-(3-methyl-1-adamantyl)methanol?
The InChIKey is LZSMFLWGPWMRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-19-10-15-9-16(11-19)13-20(12-15,14-19)18(21)17-7-5-3-2-4-6-8-17/h7,15-16,18,21H,2-6,8-14H2,1H3.
What are the key properties of cycloocten-1-yl-(3-methyl-1-adamantyl)methanol?
cycloocten-1-yl-(3-methyl-1-adamantyl)methanol has a molecular weight of 288.48 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(3-methyl-1-adamantyl)methanol is sourced from PubChem (CID 106657583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).