(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene

C11H16O — CID 59910093

IUPAC(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
SMILESCO[C@H](C)C1=CC=CC=C[C@H]1C
InChIInChI=1S/C11H16O/c1-9-7-5-4-6-8-11(9)10(2)12-3/h4-10H,1-3H3/t9-,10-/m1/s1
InChIKeyGQDHBHZQZWMAKX-NXEZZACHSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds2

About (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene

(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene (PubChem CID 59910093) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
PubChem CID59910093
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
SMILESCO[C@H](C)C1=CC=CC=C[C@H]1C
InChIInChI=1S/C11H16O/c1-9-7-5-4-6-8-11(9)10(2)12-3/h4-10H,1-3H3/t9-,10-/m1/s1
InChIKeyGQDHBHZQZWMAKX-NXEZZACHSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
CID 45096214
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143402617
5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene
CID 90758670
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate
CID 163695860
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
3-methyl-7-propan-2-yl-1,3-dihydroazepin-2-one
CID 45096279
2-cyclohepta-2,4,6-trien-1-ylpropanal
CID 14182945
methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
CID 143459698
2-[(1R)-1-methoxyethyl]-6-propan-2-ylpyridine
CID 142501240

Frequently Asked Questions

What is the IUPAC name of (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene (CID 59910093) is (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene is CO[C@H](C)C1=CC=CC=C[C@H]1C.
What is the InChIKey of (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene?
The InChIKey is GQDHBHZQZWMAKX-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16O/c1-9-7-5-4-6-8-11(9)10(2)12-3/h4-10H,1-3H3/t9-,10-/m1/s1.
What are the key properties of (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene?
(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene has a molecular weight of 164.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 59910093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).