(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol

C10H18O — CID 175971620

IUPAC(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
SMILESCC1CCC2C[C@@]1(O)C2(C)C
InChIInChI=1S/C10H18O/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m0/s1
InChIKeyQZYZKSBMQLXBGS-KTOWXAHTSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds

About (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol

(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol (PubChem CID 175971620) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol.

Molecular Properties

Compound Name(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
PubChem CID175971620
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
SMILESCC1CCC2C[C@@]1(O)C2(C)C
InChIInChI=1S/C10H18O/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m0/s1
InChIKeyQZYZKSBMQLXBGS-KTOWXAHTSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
CID 15484337
chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate
CID 159299942
(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
CID 71499837
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
18-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)octadecan-1-ol
CID 175720110
2-methylcyclopropane-1,1-diol
CID 68932442
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol
CID 175803102
(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 98047174
2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 154444877
(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
CID 42608184
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332

Frequently Asked Questions

What is the IUPAC name of (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
The IUPAC name of (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol (CID 175971620) is (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol.
What is the SMILES notation for (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
The canonical SMILES for (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol is CC1CCC2C[C@@]1(O)C2(C)C.
What is the InChIKey of (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
The InChIKey is QZYZKSBMQLXBGS-KTOWXAHTSA-N. The full InChI is InChI=1S/C10H18O/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m0/s1.
What are the key properties of (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol is sourced from PubChem (CID 175971620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).