2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol

C17H30O2 — CID 101328407

IUPAC2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](COC1CCCCC1O)C2
InChIInChI=1S/C17H30O2/c1-16(2)12-8-9-17(16,3)13(10-12)11-19-15-7-5-4-6-14(15)18/h12-15,18H,4-11H2,1-3H3/t12-,13+,14?,15?,17+/m0/s1
InChIKeyMNPVVYCJUPGMPJ-PWTJAUOKSA-N
MW266.42 g/mol
LogP3.77
Rot. Bonds3

About 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol

2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol (PubChem CID 101328407) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
PubChem CID101328407
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](COC1CCCCC1O)C2
InChIInChI=1S/C17H30O2/c1-16(2)12-8-9-17(16,3)13(10-12)11-19-15-7-5-4-6-14(15)18/h12-15,18H,4-11H2,1-3H3/t12-,13+,14?,15?,17+/m0/s1
InChIKeyMNPVVYCJUPGMPJ-PWTJAUOKSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328421
3-ethoxy-2-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328568
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
2-ethoxy-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328497
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 68769763
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
2-ethoxycyclooctan-1-ol
CID 18953000
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 123733443

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol?
The IUPAC name of 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol (CID 101328407) is 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol is CC1(C)[C@H]2CC[C@]1(C)[C@@H](COC1CCCCC1O)C2.
What is the InChIKey of 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol?
The InChIKey is MNPVVYCJUPGMPJ-PWTJAUOKSA-N. The full InChI is InChI=1S/C17H30O2/c1-16(2)12-8-9-17(16,3)13(10-12)11-19-15-7-5-4-6-14(15)18/h12-15,18H,4-11H2,1-3H3/t12-,13+,14?,15?,17+/m0/s1.
What are the key properties of 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol?
2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol has a molecular weight of 266.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol is sourced from PubChem (CID 101328407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).