1-cyclohexyloxyadamantane

C16H26O — CID 146169132

IUPAC1-cyclohexyloxyadamantane
SMILESC1CCC(OC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26O/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2
InChIKeyQHXPIAHRLLETPJ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.30
Rot. Bonds2

About 1-cyclohexyloxyadamantane

1-cyclohexyloxyadamantane (PubChem CID 146169132) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-cyclohexyloxyadamantane.

Molecular Properties

Compound Name1-cyclohexyloxyadamantane
PubChem CID146169132
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-cyclohexyloxyadamantane
SMILESC1CCC(OC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26O/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2
InChIKeyQHXPIAHRLLETPJ-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxyadamantane
CID 584854
1-(1-Adamantyloxy)adamantane
CID 5149460
1-Ethoxy-adamantane
CID 12504766
1-Prop-2-ynyloxy-adamantane
CID 10420045
Di-(1-adamantyl) peroxide
CID 14509063
Dicyclohexylmethyl-ether
CID 56630674
1-(Adamantan-1-yloxy)pentane
CID 66992851
1-(2-Fluoroethoxy)adamantane
CID 174355273
1-[4-(1-Adamantyloxy)buta-1,3-diynoxy]adamantane
CID 15635341
1-[(2-Methylpropan-2-yl)oxy]adamantane
CID 11790441
1-Propoxyadamantane
CID 12504767
2-(2-Adamantyloxy)adamantane
CID 13843567

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxyadamantane?
The IUPAC name of 1-cyclohexyloxyadamantane (CID 146169132) is 1-cyclohexyloxyadamantane.
What is the SMILES notation for 1-cyclohexyloxyadamantane?
The canonical SMILES for 1-cyclohexyloxyadamantane is C1CCC(OC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-cyclohexyloxyadamantane?
The InChIKey is QHXPIAHRLLETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2.
What are the key properties of 1-cyclohexyloxyadamantane?
1-cyclohexyloxyadamantane has a molecular weight of 234.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxyadamantane is sourced from PubChem (CID 146169132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).