(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene

C12H24O2 — CID 59911074

IUPAC(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
SMILESC=CCC[C@@](CCOC)(OC)C(C)C
InChIInChI=1S/C12H24O2/c1-6-7-8-12(14-5,11(2)3)9-10-13-4/h6,11H,1,7-10H2,2-5H3/t12-/m0/s1
InChIKeyNLPOBRWGMGBSIE-LBPRGKRZSA-N
MW200.32 g/mol
LogP3.03
Rot. Bonds8

About (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene

(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene (PubChem CID 59911074) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene.

Molecular Properties

Compound Name(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
PubChem CID59911074
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
SMILESC=CCC[C@@](CCOC)(OC)C(C)C
InChIInChI=1S/C12H24O2/c1-6-7-8-12(14-5,11(2)3)9-10-13-4/h6,11H,1,7-10H2,2-5H3/t12-/m0/s1
InChIKeyNLPOBRWGMGBSIE-LBPRGKRZSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[(2S)-butan-2-yl]-2-methylhex-5-ene-1,3-diol
CID 101486968
3-Methoxy-3-propan-2-ylhept-6-en-1-ol
CID 23384935
4-Methoxy-4-propan-2-ylhept-1-ene
CID 23385038
4-Methoxy-4-propan-2-ylocta-1,7-diene
CID 23385043
4-Methoxy-4-(2-methoxyethyl)-5-methylhex-1-ene
CID 23385078
5-Ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
5-Methoxy-5-propan-2-yloct-1-ene
CID 23385164
5-Methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene
CID 23385173
5-Methoxy-5,6-dimethylhept-1-ene
CID 23385174
5-Methoxy-5-(methoxymethyl)-6-methylhept-1-ene
CID 23385175
(4R)-4-methoxy-4-(2-methoxyethyl)-5-methylhex-1-ene
CID 59039371
(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene
CID 59039442

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene?
The IUPAC name of (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene (CID 59911074) is (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene.
What is the SMILES notation for (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene?
The canonical SMILES for (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene is C=CCC[C@@](CCOC)(OC)C(C)C.
What is the InChIKey of (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene?
The InChIKey is NLPOBRWGMGBSIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-7-8-12(14-5,11(2)3)9-10-13-4/h6,11H,1,7-10H2,2-5H3/t12-/m0/s1.
What are the key properties of (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene?
(5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-5-(2-methoxyethyl)-6-methylhept-1-ene is sourced from PubChem (CID 59911074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).