CID 15617982

C12H18O4 — CID 15617982

IUPAC—
SMILESC1COC2(CC3CC4(CC3C2)OCCO4)O1
InChIInChI=1S/C12H18O4/c1-2-14-11(13-1)5-9-7-12(8-10(9)6-11)15-3-4-16-12/h9-10H,1-8H2
InChIKeyAKQNXCMYIIEGCR-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.29
Rot. Bonds

About CID 15617982

CID 15617982 (PubChem CID 15617982) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol.

Molecular Properties

Compound NameCID 15617982
PubChem CID15617982
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name—
SMILESC1COC2(CC3CC4(CC3C2)OCCO4)O1
InChIInChI=1S/C12H18O4/c1-2-14-11(13-1)5-9-7-12(8-10(9)6-11)15-3-4-16-12/h9-10H,1-8H2
InChIKeyAKQNXCMYIIEGCR-UHFFFAOYSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135040833
CID 135040833
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 20694722
(3aR,6aS)-hexahydro-1H-spiro[pentalene-2,2'-[1,3]dioxolan]-5-ol
CID 57775756
(3'aS,6'aR)-2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 57775765
(3'aR,6'aS)-2'-ethoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 57775772
(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 67894072
(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
CID 70384491
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 76602173
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
CID 77836451
ethane;spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 90942812
(7R,8S)-7-ethyl-8-(2-methoxyethyl)-1,4-dioxaspiro[4.4]nonane
CID 117908067

Frequently Asked Questions

What is the IUPAC name of CID 15617982?
The IUPAC name of CID 15617982 (CID 15617982) is not available.
What is the SMILES notation for CID 15617982?
The canonical SMILES for CID 15617982 is C1COC2(CC3CC4(CC3C2)OCCO4)O1.
What is the InChIKey of CID 15617982?
The InChIKey is AKQNXCMYIIEGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-14-11(13-1)5-9-7-12(8-10(9)6-11)15-3-4-16-12/h9-10H,1-8H2.
What are the key properties of CID 15617982?
CID 15617982 has a molecular weight of 226.27 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15617982 is sourced from PubChem (CID 15617982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).