(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane

C14H20O — CID 102062107

IUPAC(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane
SMILESCC(C)=C1C2C[C@H]3CC1C1CC2C[C@H]1O3
InChIInChI=1S/C14H20O/c1-7(2)14-10-5-9-6-12(14)11-3-8(10)4-13(11)15-9/h8-13H,3-6H2,1-2H3/t8?,9-,10?,11?,12?,13+/m0/s1
InChIKeyIUFQHDXPCBOVSL-UUYBFBTDSA-N
MW204.31 g/mol
LogP3.16
Rot. Bonds

About (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane

(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane (PubChem CID 102062107) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane.

Molecular Properties

Compound Name(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane
PubChem CID102062107
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane
SMILESCC(C)=C1C2C[C@H]3CC1C1CC2C[C@H]1O3
InChIInChI=1S/C14H20O/c1-7(2)14-10-5-9-6-12(14)11-3-8(10)4-13(11)15-9/h8-13H,3-6H2,1-2H3/t8?,9-,10?,11?,12?,13+/m0/s1
InChIKeyIUFQHDXPCBOVSL-UUYBFBTDSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.16
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

(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
CID 98477758
7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
CID 130144952
(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
CID 10081648
(1R,2R,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 87491240
2,6-dioxatricyclo[3.3.1.13,7]decan-4-ol
CID 557355
(5S)-3-methyl-6-oxabicyclo[3.1.1]heptane
CID 154522264
7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
CID 596297
4-oxatricyclo[4.3.0.03,8]nonan-5-ol
CID 147187673
5-propan-2-ylidenetricyclo[4.1.0.02,4]heptane-3-carboxylate
CID 3338752
(1S,2R,3R,4S)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 100719829
4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethane
CID 90685782
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane?
The IUPAC name of (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane (CID 102062107) is (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane.
What is the SMILES notation for (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane?
The canonical SMILES for (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane is CC(C)=C1C2C[C@H]3CC1C1CC2C[C@H]1O3.
What is the InChIKey of (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane?
The InChIKey is IUFQHDXPCBOVSL-UUYBFBTDSA-N. The full InChI is InChI=1S/C14H20O/c1-7(2)14-10-5-9-6-12(14)11-3-8(10)4-13(11)15-9/h8-13H,3-6H2,1-2H3/t8?,9-,10?,11?,12?,13+/m0/s1.
What are the key properties of (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane?
(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane has a molecular weight of 204.31 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane is sourced from PubChem (CID 102062107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).