2-methyladamantane-1,4-diol

C11H18O2 — CID 150043877

IUPAC2-methyladamantane-1,4-diol
SMILESCC1C2CC3CC(CC1(O)C3)C2O
InChIInChI=1S/C11H18O2/c1-6-9-3-7-2-8(10(9)12)5-11(6,13)4-7/h6-10,12-13H,2-5H2,1H3
InChIKeyDJWAJUVQTLDUCS-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About 2-methyladamantane-1,4-diol

2-methyladamantane-1,4-diol (PubChem CID 150043877) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyladamantane-1,4-diol.

Molecular Properties

Compound Name2-methyladamantane-1,4-diol
PubChem CID150043877
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyladamantane-1,4-diol
SMILESCC1C2CC3CC(CC1(O)C3)C2O
InChIInChI=1S/C11H18O2/c1-6-9-3-7-2-8(10(9)12)5-11(6,13)4-7/h6-10,12-13H,2-5H2,1H3
InChIKeyDJWAJUVQTLDUCS-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyladamantane-2,4-diol
CID 175122175
5-(1-adamantyl)adamantan-2-ol
CID 68898703
4-methyladamantan-2-ol
CID 590471
5,5-dimethyltricyclo[5.2.1.03,9]decane
CID 123402715
1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol
CID 58192702
propan-2-yl 2,4-dihydroxyadamantane-1-carboxylate
CID 175219736
(2R,7S)-2-chloroadamantan-1-ol
CID 130909196
5-bromoadamantan-2-ol
CID 12660030
5-chloroadamantan-2-ol
CID 12660028
1-(4-hydroxy-1-adamantyl)ethanone
CID 14147100
1-(4-cyclopropyl-5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 68903652
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021

Frequently Asked Questions

What is the IUPAC name of 2-methyladamantane-1,4-diol?
The IUPAC name of 2-methyladamantane-1,4-diol (CID 150043877) is 2-methyladamantane-1,4-diol.
What is the SMILES notation for 2-methyladamantane-1,4-diol?
The canonical SMILES for 2-methyladamantane-1,4-diol is CC1C2CC3CC(CC1(O)C3)C2O.
What is the InChIKey of 2-methyladamantane-1,4-diol?
The InChIKey is DJWAJUVQTLDUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-9-3-7-2-8(10(9)12)5-11(6,13)4-7/h6-10,12-13H,2-5H2,1H3.
What are the key properties of 2-methyladamantane-1,4-diol?
2-methyladamantane-1,4-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyladamantane-1,4-diol is sourced from PubChem (CID 150043877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).