(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene

C20H31FO — CID 118018348

IUPAC(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene
SMILESCCC1C[C@H](C2CC2)C(C2=CC[C@H](F)CC2)=CC1OC(C)C
InChIInChI=1S/C20H31FO/c1-4-14-11-18(15-5-6-15)19(12-20(14)22-13(2)3)16-7-9-17(21)10-8-16/h7,12-15,17-18,20H,4-6,8-11H2,1-3H3/t14?,17-,18+,20?/m0/s1
InChIKeyPIXYEHDFSSPIOV-LFBZUKLQSA-N
MW306.47 g/mol
LogP5.61
Rot. Bonds5

About (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene

(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene (PubChem CID 118018348) has the molecular formula C20H31FO and a molecular weight of 306.47 g/mol. Its IUPAC name is (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene.

Molecular Properties

Compound Name(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene
PubChem CID118018348
Molecular FormulaC20H31FO
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Name(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene
SMILESCCC1C[C@H](C2CC2)C(C2=CC[C@H](F)CC2)=CC1OC(C)C
InChIInChI=1S/C20H31FO/c1-4-14-11-18(15-5-6-15)19(12-20(14)22-13(2)3)16-7-9-17(21)10-8-16/h7,12-15,17-18,20H,4-6,8-11H2,1-3H3/t14?,17-,18+,20?/m0/s1
InChIKeyPIXYEHDFSSPIOV-LFBZUKLQSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene with MolForge

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Related Compounds

6,6-Difluoro-2-[4-(3-fluoro-4-methylcyclohex-3-en-1-yl)cyclohexyl]-5-methyl-2,3-dihydropyran
CID 53709254
6,6-Difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran
CID 54544564
1-(Cyclohexa-1,3-dien-1-ylmethoxy)-2-fluoro-3,4,5-trimethylcyclohexane
CID 68094856
6-[4-[2-(4-Ethoxy-2,3-difluorocyclohex-2-en-1-yl)ethyl]cyclohexa-2,4-dien-1-yl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362664
6-[4-[2-(4-Ethoxy-3-fluorocyclohex-2-en-1-yl)ethyl]cyclohexyl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362718
6-[4-[2-(4-Ethoxy-3-fluorocyclohex-2-en-1-yl)ethyl]cyclohexyl]-1,2-difluoro-3-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 68362726
6-[4-[2-(4-Ethoxy-2-fluorocyclohex-2-en-1-yl)ethyl]cyclohexyl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362739
6-[4-[2-(4-Ethoxy-3-fluorocyclohex-2-en-1-yl)ethyl]cyclohexa-2,4-dien-1-yl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362780
6-[4-[2-(4-Ethoxy-2-fluorocyclohex-2-en-1-yl)ethyl]cyclohexa-2,4-dien-1-yl]-1,2-difluoro-3-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 68362818
6-[4-[2-(4-Ethoxy-2-fluorocyclohex-2-en-1-yl)ethyl]cyclohexa-2,4-dien-1-yl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362914
6-[4-[2-(4-Ethoxy-2-fluorocyclohex-2-en-1-yl)ethyl]cyclohexyl]-1,2-difluoro-3-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 68362929
1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800

Frequently Asked Questions

What is the IUPAC name of (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene?
The IUPAC name of (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene (CID 118018348) is (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene.
What is the SMILES notation for (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene?
The canonical SMILES for (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene is CCC1C[C@H](C2CC2)C(C2=CC[C@H](F)CC2)=CC1OC(C)C.
What is the InChIKey of (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene?
The InChIKey is PIXYEHDFSSPIOV-LFBZUKLQSA-N. The full InChI is InChI=1S/C20H31FO/c1-4-14-11-18(15-5-6-15)19(12-20(14)22-13(2)3)16-7-9-17(21)10-8-16/h7,12-15,17-18,20H,4-6,8-11H2,1-3H3/t14?,17-,18+,20?/m0/s1.
What are the key properties of (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene?
(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene has a molecular weight of 306.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene is sourced from PubChem (CID 118018348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).