(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane

C13H22O — CID 144560976

IUPAC(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
SMILESCC(C)O[C@H]1CC2CC1C1CCCC21
InChIInChI=1S/C13H22O/c1-8(2)14-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3/t9?,10?,11?,12?,13-/m0/s1
InChIKeyVRDWAVCXLYSORS-XHFUNPKLSA-N
MW194.32 g/mol
LogP3.24
Rot. Bonds2

About (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane

(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane (PubChem CID 144560976) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
PubChem CID144560976
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
SMILESCC(C)O[C@H]1CC2CC1C1CCCC21
InChIInChI=1S/C13H22O/c1-8(2)14-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3/t9?,10?,11?,12?,13-/m0/s1
InChIKeyVRDWAVCXLYSORS-XHFUNPKLSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(8-tricyclo[5.2.1.02,6]decanyloxy)ethyl]adamantane
CID 71135606
2-tert-butyl-2,3,3-trimethyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)butan-1-ol
CID 123673704
8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 71174950
2-tert-butyl-2,4,4-trimethyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)pentan-1-ol
CID 123861647
[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propyl] 2-methylbutanoate
CID 59204150
8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 123684704
8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane
CID 59602559
(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
CID 102071717
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
2,2-difluoro-4-methyl-3-[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]carbonylbenzoyl]oxypentanoate
CID 156684893
potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
CID 131841816

Frequently Asked Questions

What is the IUPAC name of (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
The IUPAC name of (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane (CID 144560976) is (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane is CC(C)O[C@H]1CC2CC1C1CCCC21.
What is the InChIKey of (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
The InChIKey is VRDWAVCXLYSORS-XHFUNPKLSA-N. The full InChI is InChI=1S/C13H22O/c1-8(2)14-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3/t9?,10?,11?,12?,13-/m0/s1.
What are the key properties of (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane has a molecular weight of 194.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 144560976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).