(2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane

C20H38O — CID 118100488

IUPAC(2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane
SMILESC=C(CC(OCC1CCCCC1)C(C)(C)C)C(C)(C)CC
InChIInChI=1S/C20H38O/c1-8-20(6,7)16(2)14-18(19(3,4)5)21-15-17-12-10-9-11-13-17/h17-18H,2,8-15H2,1,3-7H3
InChIKeyPTQZZUFXJMDPDB-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.38
Rot. Bonds7

About (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane

(2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane (PubChem CID 118100488) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane
PubChem CID118100488
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane
SMILESC=C(CC(OCC1CCCCC1)C(C)(C)C)C(C)(C)CC
InChIInChI=1S/C20H38O/c1-8-20(6,7)16(2)14-18(19(3,4)5)21-15-17-12-10-9-11-13-17/h17-18H,2,8-15H2,1,3-7H3
InChIKeyPTQZZUFXJMDPDB-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane?
The IUPAC name of (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane (CID 118100488) is (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane.
What is the SMILES notation for (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane?
The canonical SMILES for (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane is C=C(CC(OCC1CCCCC1)C(C)(C)C)C(C)(C)CC.
What is the InChIKey of (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane?
The InChIKey is PTQZZUFXJMDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-8-20(6,7)16(2)14-18(19(3,4)5)21-15-17-12-10-9-11-13-17/h17-18H,2,8-15H2,1,3-7H3.
What are the key properties of (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane?
(2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane has a molecular weight of 294.52 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-5-methylideneoctan-3-yl)oxymethylcyclohexane is sourced from PubChem (CID 118100488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).