(3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane

C15H30O — CID 59064280

IUPAC(3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane
SMILESC=CCO[C@](C)(CC(C)C)C[C@@H](C)C(C)C
InChIInChI=1S/C15H30O/c1-8-9-16-15(7,10-12(2)3)11-14(6)13(4)5/h8,12-14H,1,9-11H2,2-7H3/t14-,15-/m1/s1
InChIKeyFAIWESDZRWSFRQ-HUUCEWRRSA-N
MW226.40 g/mol
LogP4.68
Rot. Bonds8

About (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane

(3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane (PubChem CID 59064280) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane.

Molecular Properties

Compound Name(3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane
PubChem CID59064280
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane
SMILESC=CCO[C@](C)(CC(C)C)C[C@@H](C)C(C)C
InChIInChI=1S/C15H30O/c1-8-9-16-15(7,10-12(2)3)11-14(6)13(4)5/h8,12-14H,1,9-11H2,2-7H3/t14-,15-/m1/s1
InChIKeyFAIWESDZRWSFRQ-HUUCEWRRSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.68
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 (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane?
The IUPAC name of (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane (CID 59064280) is (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane.
What is the SMILES notation for (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane?
The canonical SMILES for (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane is C=CCO[C@](C)(CC(C)C)C[C@@H](C)C(C)C.
What is the InChIKey of (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane?
The InChIKey is FAIWESDZRWSFRQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H30O/c1-8-9-16-15(7,10-12(2)3)11-14(6)13(4)5/h8,12-14H,1,9-11H2,2-7H3/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane?
(3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane has a molecular weight of 226.40 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,3,5,7-tetramethyl-5-prop-2-enoxyoctane is sourced from PubChem (CID 59064280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).