[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol

C11H20O — CID 18389944

IUPAC[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCC1(C)[C@H]2CC[C@@]1(C)C[C@@H]2CO
InChIInChI=1S/C11H20O/c1-10(2)9-4-5-11(10,3)6-8(9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+,11+/m1/s1
InChIKeyWREABXXKKKIEKF-YWVKMMECSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds1

About [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol

[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 18389944) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID18389944
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCC1(C)[C@H]2CC[C@@]1(C)C[C@@H]2CO
InChIInChI=1S/C11H20O/c1-10(2)9-4-5-11(10,3)6-8(9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+,11+/m1/s1
InChIKeyWREABXXKKKIEKF-YWVKMMECSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 99646802
[(1R,2S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 7054470
(NE)-N-[1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylidene]hydroxylamine
CID 51405756
N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine
CID 2750895
(1S,2R,4S)-3,3,4-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129408816
(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl)methanol
CID 22164638
(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2-methylbutanoate
CID 59503155
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 11897562
[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 7324857
[(1R,3R,4R,7R)-3-tricyclo[5.3.0.01,4]decanyl]methanol
CID 129321208
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
CID 11897566
6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 162979505

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol (CID 18389944) is [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol is CC1(C)[C@H]2CC[C@@]1(C)C[C@@H]2CO.
What is the InChIKey of [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is WREABXXKKKIEKF-YWVKMMECSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)9-4-5-11(10,3)6-8(9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+,11+/m1/s1.
What are the key properties of [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 18389944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).