(6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene

C18H30O4 — CID 10757345

IUPAC(6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene
SMILESCCOCO[C@H]1CCCC=C1C1=CCCC[C@H]1OCOCC
InChIInChI=1S/C18H30O4/c1-3-19-13-21-17-11-7-5-9-15(17)16-10-6-8-12-18(16)22-14-20-4-2/h9-10,17-18H,3-8,11-14H2,1-2H3/t17-,18+
InChIKeyXKODQHVOCODBAQ-HDICACEKSA-N
MW310.43 g/mol
LogP3.97
Rot. Bonds9

About (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene

(6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene (PubChem CID 10757345) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene.

Molecular Properties

Compound Name(6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene
PubChem CID10757345
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene
SMILESCCOCO[C@H]1CCCC=C1C1=CCCC[C@H]1OCOCC
InChIInChI=1S/C18H30O4/c1-3-19-13-21-17-11-7-5-9-15(17)16-10-6-8-12-18(16)22-14-20-4-2/h9-10,17-18H,3-8,11-14H2,1-2H3/t17-,18+
InChIKeyXKODQHVOCODBAQ-HDICACEKSA-N
XLogP3.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methoxymethoxyethyl)cyclohexene
CID 542494
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206
5-(Methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
CID 19428653
1-Ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
CID 22908390
(2R)-1-(6,7-dihydronaphthalen-1-yl)-2-(methoxymethoxy)-2,3-dihydronaphthalene
CID 59318497
(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
CID 67642607
(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
CID 67738092
13,15-Dioxabicyclo[10.5.0]heptadec-1-ene
CID 70587367
2,6-Dimethoxy-1-methyl-4-(1-propan-2-yloxyethoxymethyl)cyclohexa-1,3-diene
CID 89062666
2-(3-methoxycyclohexa-1,5-dien-1-yl)-1-[(5R)-5-methoxycyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 144286447
1-[1,1-Di(propan-2-yloxy)decyl]cyclohexene
CID 150635627
1,7-Bis(4,4-dimethoxycyclohexa-1,5-dien-1-yl)heptan-3-ol
CID 176915686

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene?
The IUPAC name of (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene (CID 10757345) is (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene.
What is the SMILES notation for (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene?
The canonical SMILES for (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene is CCOCO[C@H]1CCCC=C1C1=CCCC[C@H]1OCOCC.
What is the InChIKey of (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene?
The InChIKey is XKODQHVOCODBAQ-HDICACEKSA-N. The full InChI is InChI=1S/C18H30O4/c1-3-19-13-21-17-11-7-5-9-15(17)16-10-6-8-12-18(16)22-14-20-4-2/h9-10,17-18H,3-8,11-14H2,1-2H3/t17-,18+.
What are the key properties of (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene?
(6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene has a molecular weight of 310.43 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene is sourced from PubChem (CID 10757345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).