cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol

C11H22O — CID 130964756

IUPACcis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
SMILESCC1C[C@@H](C)CC(O)C[C@@H](C)C1
InChIInChI=1S/C11H22O/c1-8-4-9(2)6-11(12)7-10(3)5-8/h8-12H,4-7H2,1-3H3/t8?,9-,10+,11?
InChIKeyGWIIZARHBAHTIX-GGWWSXTCSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds

About cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol

cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol (PubChem CID 130964756) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol.

Molecular Properties

Compound Namecis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
PubChem CID130964756
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
SMILESCC1C[C@@H](C)CC(O)C[C@@H](C)C1
InChIInChI=1S/C11H22O/c1-8-4-9(2)6-11(12)7-10(3)5-8/h8-12H,4-7H2,1-3H3/t8?,9-,10+,11?
InChIKeyGWIIZARHBAHTIX-GGWWSXTCSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

formic acid;3-methylcyclobutan-1-ol
CID 175459565
cyclohexane-1,3,5-triol;5-methoxycyclohexane-1,3-diol;bis((5R)-3-methoxy-5-methylcyclohexan-1-ol);trans-(3R,5R)-1-methoxy-3,5-dimethylcyclohexane
CID 158489403
(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 121406246
(3R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 145106733
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
CID 171838675
3-methylcyclopentan-1-ol;yttrium
CID 178142170
cyclobutane-1,3-diol
CID 175518786
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
3-methylcyclononan-1-ol
CID 143603449
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957

Frequently Asked Questions

What is the IUPAC name of cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol?
The IUPAC name of cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol (CID 130964756) is cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol.
What is the SMILES notation for cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol?
The canonical SMILES for cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol is CC1C[C@@H](C)CC(O)C[C@@H](C)C1.
What is the InChIKey of cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol?
The InChIKey is GWIIZARHBAHTIX-GGWWSXTCSA-N. The full InChI is InChI=1S/C11H22O/c1-8-4-9(2)6-11(12)7-10(3)5-8/h8-12H,4-7H2,1-3H3/t8?,9-,10+,11?.
What are the key properties of cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol?
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol is sourced from PubChem (CID 130964756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).