(2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol

C14H24O3 — CID 161042767

IUPAC(2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol
SMILESCC1=CCCCCC1O[C@H]1C[C@@H](O)C[C@@H](C)O1
InChIInChI=1S/C14H24O3/c1-10-6-4-3-5-7-13(10)17-14-9-12(15)8-11(2)16-14/h6,11-15H,3-5,7-9H2,1-2H3/t11-,12+,13?,14+/m1/s1
InChIKeyUBCCSQDEBBAAJQ-UDRMKVCMSA-N
MW240.34 g/mol
LogP2.78
Rot. Bonds2

About (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol

(2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol (PubChem CID 161042767) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol
PubChem CID161042767
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol
SMILESCC1=CCCCCC1O[C@H]1C[C@@H](O)C[C@@H](C)O1
InChIInChI=1S/C14H24O3/c1-10-6-4-3-5-7-13(10)17-14-9-12(15)8-11(2)16-14/h6,11-15H,3-5,7-9H2,1-2H3/t11-,12+,13?,14+/m1/s1
InChIKeyUBCCSQDEBBAAJQ-UDRMKVCMSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,4S,6S)-2-methyl-6-(2-nitrocyclohex-2-en-1-yl)oxyoxan-4-ol
CID 142877745
(4S,6S)-2-methyl-6-(2-nitrocyclohexa-2,4-dien-1-yl)oxyoxan-4-ol
CID 163542775
1,7-dimethylcycloheptene
CID 13493194
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol
CID 155176594
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
CID 67068127
N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide
CID 174004773
2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
1-(2,2-dimethylpropyl)-7-hydroperoxycycloheptene
CID 10465344
(2R,6R)-2-cyclohexyloxy-6-methyloxane
CID 131863888
(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane
CID 71287954

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol?
The IUPAC name of (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol (CID 161042767) is (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol.
What is the SMILES notation for (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol?
The canonical SMILES for (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol is CC1=CCCCCC1O[C@H]1C[C@@H](O)C[C@@H](C)O1.
What is the InChIKey of (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol?
The InChIKey is UBCCSQDEBBAAJQ-UDRMKVCMSA-N. The full InChI is InChI=1S/C14H24O3/c1-10-6-4-3-5-7-13(10)17-14-9-12(15)8-11(2)16-14/h6,11-15H,3-5,7-9H2,1-2H3/t11-,12+,13?,14+/m1/s1.
What are the key properties of (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol?
(2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol has a molecular weight of 240.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2-methyl-6-(2-methylcyclohept-2-en-1-yl)oxyoxan-4-ol is sourced from PubChem (CID 161042767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).