(3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane

C14H22O — CID 24795946

IUPAC(3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane
SMILESC=C1O[C@@H](C2=CCCCCC2)CC[C@@H]1C
InChIInChI=1S/C14H22O/c1-11-9-10-14(15-12(11)2)13-7-5-3-4-6-8-13/h7,11,14H,2-6,8-10H2,1H3/t11-,14+/m0/s1
InChIKeyLWDCHMHGFFFCCT-SMDDNHRTSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds1

About (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane

(3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane (PubChem CID 24795946) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane.

Molecular Properties

Compound Name(3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane
PubChem CID24795946
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane
SMILESC=C1O[C@@H](C2=CCCCCC2)CC[C@@H]1C
InChIInChI=1S/C14H22O/c1-11-9-10-14(15-12(11)2)13-7-5-3-4-6-8-13/h7,11,14H,2-6,8-10H2,1H3/t11-,14+/m0/s1
InChIKeyLWDCHMHGFFFCCT-SMDDNHRTSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane?
The IUPAC name of (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane (CID 24795946) is (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane.
What is the SMILES notation for (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane?
The canonical SMILES for (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane is C=C1O[C@@H](C2=CCCCCC2)CC[C@@H]1C.
What is the InChIKey of (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane?
The InChIKey is LWDCHMHGFFFCCT-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H22O/c1-11-9-10-14(15-12(11)2)13-7-5-3-4-6-8-13/h7,11,14H,2-6,8-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane?
(3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane has a molecular weight of 206.33 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(cyclohepten-1-yl)-3-methyl-2-methylideneoxane is sourced from PubChem (CID 24795946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).