(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene

C16H28O — CID 25191177

IUPAC(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
SMILESC[C@@H]1CCCCCCCCC2CCC=C(C1)O2
InChIInChI=1S/C16H28O/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h12,14-15H,2-11,13H2,1H3/t14-,15?/m1/s1
InChIKeyKOBBGAAYVYTCLY-GICMACPYSA-N
MW236.40 g/mol
LogP5.21
Rot. Bonds

About (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene

(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene (PubChem CID 25191177) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene.

Molecular Properties

Compound Name(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
PubChem CID25191177
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
SMILESC[C@@H]1CCCCCCCCC2CCC=C(C1)O2
InChIInChI=1S/C16H28O/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h12,14-15H,2-11,13H2,1H3/t14-,15?/m1/s1
InChIKeyKOBBGAAYVYTCLY-GICMACPYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene with MolForge

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Related Compounds

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CID 102054965
Epoxycembrene A
CID 10859180
1,5-Cyclododecadiene, 9-methoxy-1,5,10-trimethyl-
CID 102054964
1,5-Cyclododecadiene, 10-methoxy-1,5,9-trimethyl-
CID 102054967
2-[2-(4-Methylcyclohex-3-EN-1-YL)propyl]tetrahydrofuran
CID 3024253
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CID 162965550
3,4-Dihydro-2H-pyran, 3-isopropyl-6-methyl-2-(3-methylcyclopent-2-enyl)
CID 6428357
6-Methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 2828531
(4aR,7aS)-2-butyl-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 134981525
1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
(1R,4E,8E,12S,14R)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 162981728
14-Methyl-16-oxabicyclo[10.3.1]hexadec-12-ene
CID 18961697

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The IUPAC name of (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene (CID 25191177) is (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene.
What is the SMILES notation for (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The canonical SMILES for (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene is C[C@@H]1CCCCCCCCC2CCC=C(C1)O2.
What is the InChIKey of (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The InChIKey is KOBBGAAYVYTCLY-GICMACPYSA-N. The full InChI is InChI=1S/C16H28O/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h12,14-15H,2-11,13H2,1H3/t14-,15?/m1/s1.
What are the key properties of (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene has a molecular weight of 236.40 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene is sourced from PubChem (CID 25191177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).