4-(2-methylpropyl)adamantane-1,4-diol

C14H24O2 — CID 139814602

IUPAC4-(2-methylpropyl)adamantane-1,4-diol
SMILESCC(C)CC1(O)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C14H24O2/c1-9(2)5-14(16)11-3-10-4-12(14)8-13(15,6-10)7-11/h9-12,15-16H,3-8H2,1-2H3
InChIKeyYBZUTDKVXSHXEU-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.33
Rot. Bonds2

About 4-(2-methylpropyl)adamantane-1,4-diol

4-(2-methylpropyl)adamantane-1,4-diol (PubChem CID 139814602) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)adamantane-1,4-diol.

Molecular Properties

Compound Name4-(2-methylpropyl)adamantane-1,4-diol
PubChem CID139814602
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-(2-methylpropyl)adamantane-1,4-diol
SMILESCC(C)CC1(O)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C14H24O2/c1-9(2)5-14(16)11-3-10-4-12(14)8-13(15,6-10)7-11/h9-12,15-16H,3-8H2,1-2H3
InChIKeyYBZUTDKVXSHXEU-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-adamantanol
CID 136545
2-Propyladamantan-2-ol
CID 22042516
Diamantan-1-ol
CID 141568
Diamantan-4-ol
CID 141578
Adamantane-1,4-diol
CID 4252005
2-Ethyl-2-adamantanol
CID 4401951
2-Butyltricyclo(3.3.1.13,7)decan-2-ol
CID 12627253
3xi-4-Copanol
CID 14807649
(1S,2S,3S,7R,8R)-3-(2-hydroxypropan-2-yl)-6,8-dimethyltricyclo[4.4.0.02,7]decane-1,2-diol
CID 101876352
(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol
CID 163088356
Adamantan-1-ol, 2,2-dimethyl
CID 524265
2-Tert-butyladamantan-2-ol
CID 12955813

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)adamantane-1,4-diol?
The IUPAC name of 4-(2-methylpropyl)adamantane-1,4-diol (CID 139814602) is 4-(2-methylpropyl)adamantane-1,4-diol.
What is the SMILES notation for 4-(2-methylpropyl)adamantane-1,4-diol?
The canonical SMILES for 4-(2-methylpropyl)adamantane-1,4-diol is CC(C)CC1(O)C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(2-methylpropyl)adamantane-1,4-diol?
The InChIKey is YBZUTDKVXSHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)5-14(16)11-3-10-4-12(14)8-13(15,6-10)7-11/h9-12,15-16H,3-8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)adamantane-1,4-diol?
4-(2-methylpropyl)adamantane-1,4-diol has a molecular weight of 224.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)adamantane-1,4-diol is sourced from PubChem (CID 139814602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).