[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol

C16H26O — CID 67159508

IUPAC[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
SMILESCC1(CC[C@H]2C[C@@]2(C)CO)C2CC3C(C2)C31C
InChIInChI=1S/C16H26O/c1-14(9-17)8-10(14)4-5-15(2)11-6-12-13(7-11)16(12,15)3/h10-13,17H,4-9H2,1-3H3/t10-,11?,12?,13?,14-,15?,16?/m0/s1
InChIKeyJVMSSGOKSIWDJW-LCQOCNNOSA-N
MW234.38 g/mol
LogP3.47
Rot. Bonds4

About [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol

[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol (PubChem CID 67159508) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
PubChem CID67159508
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
SMILESCC1(CC[C@H]2C[C@@]2(C)CO)C2CC3C(C2)C31C
InChIInChI=1S/C16H26O/c1-14(9-17)8-10(14)4-5-15(2)11-6-12-13(7-11)16(12,15)3/h10-13,17H,4-9H2,1-3H3/t10-,11?,12?,13?,14-,15?,16?/m0/s1
InChIKeyJVMSSGOKSIWDJW-LCQOCNNOSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol (CID 67159508) is [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol is CC1(CC[C@H]2C[C@@]2(C)CO)C2CC3C(C2)C31C.
What is the InChIKey of [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol?
The InChIKey is JVMSSGOKSIWDJW-LCQOCNNOSA-N. The full InChI is InChI=1S/C16H26O/c1-14(9-17)8-10(14)4-5-15(2)11-6-12-13(7-11)16(12,15)3/h10-13,17H,4-9H2,1-3H3/t10-,11?,12?,13?,14-,15?,16?/m0/s1.
What are the key properties of [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol?
[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol has a molecular weight of 234.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol is sourced from PubChem (CID 67159508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).