cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane

C8H18O — CID 171838675

IUPACcis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
SMILESCC.C[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H12O.C2H6/c1-5-2-3-6(7)4-5;1-2/h5-7H,2-4H2,1H3;1-2H3/t5-,6+;/m0./s1
InChIKeyMPSAHIBQWGWVTP-RIHPBJNCSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds

About cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane

cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane (PubChem CID 171838675) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane.

Molecular Properties

Compound Namecis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
PubChem CID171838675
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Namecis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
SMILESCC.C[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H12O.C2H6/c1-5-2-3-6(7)4-5;1-2/h5-7H,2-4H2,1H3;1-2H3/t5-,6+;/m0./s1
InChIKeyMPSAHIBQWGWVTP-RIHPBJNCSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 177450802
3-methylcyclononan-1-ol
CID 143603449
4-methylcyclohexan-1-ol
CID 11524
methanamine;3-methylcyclohexan-1-ol
CID 174923816
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide
CID 163396379
ethane;methylcyclopropane
CID 158329065
3-methylcyclopentan-1-ol;2-methyl-4,5-dihydro-1,3-oxazol-4-ol
CID 67930742
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane?
The IUPAC name of cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane (CID 171838675) is cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane.
What is the SMILES notation for cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane?
The canonical SMILES for cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane is CC.C[C@H]1CC[C@@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane?
The InChIKey is MPSAHIBQWGWVTP-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H12O.C2H6/c1-5-2-3-6(7)4-5;1-2/h5-7H,2-4H2,1H3;1-2H3/t5-,6+;/m0./s1.
What are the key properties of cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane?
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane has a molecular weight of 130.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane is sourced from PubChem (CID 171838675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).