(4R)-4-methoxy-4-propan-2-ylocta-1,7-diene

C12H22O — CID 59039492

IUPAC(4R)-4-methoxy-4-propan-2-ylocta-1,7-diene
SMILESC=CCC[C@](CC=C)(OC)C(C)C
InChIInChI=1S/C12H22O/c1-6-8-10-12(13-5,9-7-2)11(3)4/h6-7,11H,1-2,8-10H2,3-5H3/t12-/m0/s1
InChIKeySMJSBYZEGKAUNG-LBPRGKRZSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds7

About (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene

(4R)-4-methoxy-4-propan-2-ylocta-1,7-diene (PubChem CID 59039492) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene.

Molecular Properties

Compound Name(4R)-4-methoxy-4-propan-2-ylocta-1,7-diene
PubChem CID59039492
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(4R)-4-methoxy-4-propan-2-ylocta-1,7-diene
SMILESC=CCC[C@](CC=C)(OC)C(C)C
InChIInChI=1S/C12H22O/c1-6-8-10-12(13-5,9-7-2)11(3)4/h6-7,11H,1-2,8-10H2,3-5H3/t12-/m0/s1
InChIKeySMJSBYZEGKAUNG-LBPRGKRZSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
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

4,6-Dimethylhept-1-en-4-ol
CID 12464144
Tetraallyloxirane
CID 90655
Isobutyldiallylcarbinol
CID 3028545
3-Ethenyl-2,2,5,5-tetramethyloxolane
CID 14593314
2,2-di(propan-2-yl)-3H-furan
CID 45091822
1-Methoxy-1-(2-propenyl)cyclopentane
CID 12148224
(4S,5S)-4-methyl-5-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 15247708
(3S,4S,5S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 15668626
4-Ethyl-4-methoxycyclohexene
CID 86182451
4-But-3-enyl-4-methoxycyclopentene
CID 101200196
(4S)-4-methoxy-4-prop-2-enylcyclohexene
CID 101200197
4-Ethenoxy-6-methylhept-1-ene
CID 101377740

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene?
The IUPAC name of (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene (CID 59039492) is (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene.
What is the SMILES notation for (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene?
The canonical SMILES for (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene is C=CCC[C@](CC=C)(OC)C(C)C.
What is the InChIKey of (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene?
The InChIKey is SMJSBYZEGKAUNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8-10-12(13-5,9-7-2)11(3)4/h6-7,11H,1-2,8-10H2,3-5H3/t12-/m0/s1.
What are the key properties of (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene?
(4R)-4-methoxy-4-propan-2-ylocta-1,7-diene has a molecular weight of 182.31 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-4-propan-2-ylocta-1,7-diene is sourced from PubChem (CID 59039492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).