cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane

C11H22 — CID 58254317

IUPACcis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
SMILESCC(C)[C@@H]1CCC[C@H](C)CC1
InChIInChI=1S/C11H22/c1-9(2)11-6-4-5-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyKZGVWNALTHRVEA-WDEREUQCSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds1

About cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane

cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane (PubChem CID 58254317) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane.

Molecular Properties

Compound Namecis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
PubChem CID58254317
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namecis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
SMILESCC(C)[C@@H]1CCC[C@H](C)CC1
InChIInChI=1S/C11H22/c1-9(2)11-6-4-5-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyKZGVWNALTHRVEA-WDEREUQCSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
CID 162144552
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
isocyanic acid;1-methyl-4-propan-2-ylcyclohexane
CID 88721765
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
propan-2-ylcyclopropane;hydroiodide
CID 162314014

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane?
The IUPAC name of cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane (CID 58254317) is cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane.
What is the SMILES notation for cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane?
The canonical SMILES for cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane is CC(C)[C@@H]1CCC[C@H](C)CC1.
What is the InChIKey of cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane?
The InChIKey is KZGVWNALTHRVEA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22/c1-9(2)11-6-4-5-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane?
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane is sourced from PubChem (CID 58254317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).